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docs/qmckl.css
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972
docs/qmckl.css
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/* Adapted from worg.css */
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@import url(https://fonts.googleapis.com/css?family=Droid+Sans|Droid+Sans+Mono|Droid+Serif);
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@media all
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{
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html {
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margin: 0;
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||||||
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font: .9em/1.6em "Droid Serif", Cambria, Georgia, "DejaVu Serif", serif;
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background-image: url(/img/org-mode-unicorn-logo-worg.png);
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background-attachment: fixed;
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||||||
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background-position: right bottom;
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||||||
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background-repeat: no-repeat;
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||||||
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background-color: white;
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}
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||||||
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body {
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font-size: 14pt;
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line-height: 22pt;
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color: black;
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||||||
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margin-top: 0;
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}
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body #content {
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padding-top: 2em;
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margin: auto;
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max-width: 70%;
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background-color: white;
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}
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body #support {
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position: fixed;
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top:0;
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display:block;
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font-size: 12pt;
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right:0pt;
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text-align: right;
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padding: .2em 1em;
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background: #EEE;
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border-radius: 10px;
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}
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body .title {
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margin-left: 0px;
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font-size: 22pt;
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}
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#org-div-home-and-up{
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position: fixed;
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right: 0.5em;
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margin-top: 70px;
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||||||
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font-family:sans-serif;
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}
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/* TOC inspired by http://jashkenas.github.com/coffee-script */
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#table-of-contents {
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||||||
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margin-top: 105px;
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||||||
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font-size: 10pt;
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font-family:sans-serif;
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position: fixed;
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right: 0em;
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top: 0em;
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||||||
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background: white;
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||||||
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line-height: 12pt;
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||||||
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text-align: right;
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box-shadow: 0 0 1em #777777;
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||||||
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-webkit-box-shadow: 0 0 1em #777777;
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||||||
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-moz-box-shadow: 0 0 1em #777777;
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||||||
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-webkit-border-bottom-left-radius: 5px;
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||||||
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-moz-border-radius-bottomleft: 5px;
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||||||
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/* ensure doesn't flow off the screen when expanded */
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max-height: 80%;
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overflow: auto; }
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#table-of-contents h2 {
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font-size: 13pt;
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max-width: 9em;
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border: 0;
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||||||
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font-weight: normal;
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||||||
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padding-left: 0.5em;
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||||||
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padding-right: 0.5em;
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padding-top: 0.05em;
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padding-bottom: 0.05em; }
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#table-of-contents #text-table-of-contents {
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display: none;
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||||||
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text-align: left; }
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#table-of-contents:hover #text-table-of-contents {
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display: block;
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padding: 0.5em;
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margin-top: -1.5em; }
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#license {
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background-color: #eeeeee;
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}
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h1 {
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font-size:2.1em;
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padding:0 0 30px 0;
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margin-top: 10px;
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margin-bottom: 10px;
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margin-right: 7%;
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||||||
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color: grey;
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}
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h2 {
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font-family:sans-serif;
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font-size:1.45em;
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padding:10px 0 10px 0;
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color: black;
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border-bottom: 1px solid #ddd;
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padding-top: 1.5em;
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}
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.outline-text-2 {
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margin-left: 0.1em
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}
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h3 {
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font-family:sans-serif;
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font-size:1.3em;
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||||||
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color: grey;
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||||||
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margin-left: 0.6em;
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padding-top: 1.5em;
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}
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/* #A34D32;*/
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.outline-text-3 {
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margin-left: 0.9em;
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}
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h4 {
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font-family:sans-serif;
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font-size:1.2em;
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margin-left: 1.2em;
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color: #A5573E;
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padding-top: 1.5em;
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}
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.outline-text-4 {
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margin-left: 1.45em;
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}
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a {text-decoration: none; font-weight: 400;}
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a:visited {text-decoration: none; font-weight: 400;}
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a:hover {text-decoration: underline;}
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.todo {
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color: #CA0000;
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}
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.done {
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color: #006666;
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}
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.timestamp-kwd {
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color: #444;
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}
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.tag {
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background-color: #ffff;
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color: #ffff;
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}
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li {
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margin: .4em;
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}
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table {
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border: 1;
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border-color: grey;
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}
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thead {
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border: 0;
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}
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tbody {
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border: 0;
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}
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tr {
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border: 0;
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}
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td {
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border-left: 0px;
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border-right: 0px;
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border-top: 0px;
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border-bottom: 0px;
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}
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th {
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border-left: 0px;
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border-right: 0px;
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||||||
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border-top: 1px solid grey;
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||||||
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border-bottom: 1px solid grey;
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}
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code {
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font-size: 100%;
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color: black;
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padding: 0px 0.2em;
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}
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img {
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border: 0;
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}
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.share img {
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opacity: .4;
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-moz-opacity: .4;
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filter: alpha(opacity=40);
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}
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.share img:hover {
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opacity: 1;
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-moz-opacity: 1;
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filter: alpha(opacity=100);
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}
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pre {
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font-family: Droid Sans Mono, Monaco, Consolas, "Lucida Console", monospace;
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color: black;
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font-size: 90%;
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padding: 0.5em;
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overflow: auto;
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border: none;
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background-color: #f2f2f2;
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border-radius: 5px;
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}
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.org-info-box {
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clear:both;
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margin-left:auto;
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margin-right:auto;
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padding:0.7em;
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}
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.org-info-box img {
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float:left;
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margin:0em 0.5em 0em 0em;
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}
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.org-info-box p {
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margin:0em;
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padding:0em;
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}
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.builtin {
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/* font-lock-builtin-face */
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color: #f4a460;
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}
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.comment {
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/* font-lock-comment-face */
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color: #737373;
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}
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.comment-delimiter {
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/* font-lock-comment-delimiter-face */
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color: #666666;
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}
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.constant {
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/* font-lock-constant-face */
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color: #db7093;
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}
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.doc {
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/* font-lock-doc-face */
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color: #b3b3b3;
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}
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.function-name {
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/* font-lock-function-name-face */
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color: #5f9ea0;
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}
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.headline {
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/* headline-face */
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color: #ffffff;
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background-color: #000000;
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font-weight: bold;
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}
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.keyword {
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/* font-lock-keyword-face */
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||||||
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color: #4682b4;
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}
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.negation-char {
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}
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.regexp-grouping-backslash {
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}
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.regexp-grouping-construct {
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||||||
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}
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.string {
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||||||
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/* font-lock-string-face */
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color: #ccc79a;
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}
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.todo-comment {
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||||||
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/* todo-comment-face */
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color: #ffffff;
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background-color: #000000;
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||||||
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font-weight: bold;
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||||||
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}
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.variable-name {
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||||||
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/* font-lock-variable-name-face */
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||||||
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color: #ff6a6a;
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}
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.warning {
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||||||
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/* font-lock-warning-face */
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||||||
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color: #ffffff;
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||||||
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background-color: #cd5c5c;
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||||||
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font-weight: bold;
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}
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||||||
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.important {
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||||||
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/* font-lock-warning-face */
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background-color: #e3e3f7;
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}
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.exercise {
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||||||
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/* font-lock-warning-face */
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||||||
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background-color: #e3f7e3;
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}
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.note {
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||||||
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/* font-lock-warning-face */
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background-color: #f7f7d9;
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}
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pre.a {
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color: inherit;
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background-color: inherit;
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||||||
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font: inherit;
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||||||
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text-decoration: inherit;
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||||||
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}
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||||||
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pre.a:hover {
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||||||
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text-decoration: underline;
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||||||
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}
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||||||
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||||||
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/* Styles for org-info.js */
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.org-info-js_info-navigation
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{
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border-style:none;
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}
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#org-info-js_console-label
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||||||
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{
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||||||
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font-size:10px;
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||||||
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font-weight:bold;
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||||||
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white-space:nowrap;
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||||||
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}
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||||||
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||||||
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.org-info-js_search-highlight
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||||||
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{
|
||||||
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background-color:#ffff00;
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||||||
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color:#000000;
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||||||
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font-weight:bold;
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||||||
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}
|
||||||
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||||||
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#org-info-js-window
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||||||
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{
|
||||||
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border-bottom:1px solid black;
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||||||
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padding-bottom:10px;
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||||||
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margin-bottom:10px;
|
||||||
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}
|
||||||
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||||||
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||||||
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|
||||||
|
.org-info-search-highlight
|
||||||
|
{
|
||||||
|
background-color:#adefef; /* same color as emacs default */
|
||||||
|
color:#000000;
|
||||||
|
font-weight:bold;
|
||||||
|
}
|
||||||
|
|
||||||
|
.org-bbdb-company {
|
||||||
|
/* bbdb-company */
|
||||||
|
font-style: italic;
|
||||||
|
}
|
||||||
|
.org-bbdb-field-name {
|
||||||
|
}
|
||||||
|
.org-bbdb-field-value {
|
||||||
|
}
|
||||||
|
.org-bbdb-name {
|
||||||
|
/* bbdb-name */
|
||||||
|
text-decoration: underline;
|
||||||
|
}
|
||||||
|
.org-bold {
|
||||||
|
/* bold */
|
||||||
|
font-weight: bold;
|
||||||
|
}
|
||||||
|
.org-bold-italic {
|
||||||
|
/* bold-italic */
|
||||||
|
font-weight: bold;
|
||||||
|
font-style: italic;
|
||||||
|
}
|
||||||
|
.org-border {
|
||||||
|
/* border */
|
||||||
|
background-color: #000000;
|
||||||
|
}
|
||||||
|
.org-buffer-menu-buffer {
|
||||||
|
/* buffer-menu-buffer */
|
||||||
|
font-weight: bold;
|
||||||
|
}
|
||||||
|
.org-builtin {
|
||||||
|
/* font-lock-builtin-face */
|
||||||
|
color: #da70d6;
|
||||||
|
}
|
||||||
|
.org-button {
|
||||||
|
/* button */
|
||||||
|
text-decoration: underline;
|
||||||
|
}
|
||||||
|
.org-c-nonbreakable-space {
|
||||||
|
/* c-nonbreakable-space-face */
|
||||||
|
background-color: #ff0000;
|
||||||
|
font-weight: bold;
|
||||||
|
}
|
||||||
|
.org-calendar-today {
|
||||||
|
/* calendar-today */
|
||||||
|
text-decoration: underline;
|
||||||
|
}
|
||||||
|
.org-comment {
|
||||||
|
/* font-lock-comment-face */
|
||||||
|
color: #b22222;
|
||||||
|
}
|
||||||
|
.org-comment-delimiter {
|
||||||
|
/* font-lock-comment-delimiter-face */
|
||||||
|
color: #b22222;
|
||||||
|
}
|
||||||
|
.org-constant {
|
||||||
|
/* font-lock-constant-face */
|
||||||
|
color: #5f9ea0;
|
||||||
|
}
|
||||||
|
.org-cursor {
|
||||||
|
/* cursor */
|
||||||
|
background-color: #000000;
|
||||||
|
}
|
||||||
|
.org-default {
|
||||||
|
/* default */
|
||||||
|
color: #000000;
|
||||||
|
background-color: #ffffff;
|
||||||
|
}
|
||||||
|
.org-diary {
|
||||||
|
/* diary */
|
||||||
|
color: #ff0000;
|
||||||
|
}
|
||||||
|
.org-doc {
|
||||||
|
/* font-lock-doc-face */
|
||||||
|
color: #bc8f8f;
|
||||||
|
}
|
||||||
|
.org-escape-glyph {
|
||||||
|
/* escape-glyph */
|
||||||
|
color: #a52a2a;
|
||||||
|
}
|
||||||
|
.org-file-name-shadow {
|
||||||
|
/* file-name-shadow */
|
||||||
|
color: #7f7f7f;
|
||||||
|
}
|
||||||
|
.org-fixed-pitch {
|
||||||
|
}
|
||||||
|
.org-fringe {
|
||||||
|
/* fringe */
|
||||||
|
background-color: #f2f2f2;
|
||||||
|
}
|
||||||
|
.org-function-name {
|
||||||
|
/* font-lock-function-name-face */
|
||||||
|
color: #0000ff;
|
||||||
|
}
|
||||||
|
.org-header-line {
|
||||||
|
/* header-line */
|
||||||
|
color: #333333;
|
||||||
|
background-color: #e5e5e5;
|
||||||
|
}
|
||||||
|
.org-help-argument-name {
|
||||||
|
/* help-argument-name */
|
||||||
|
font-style: italic;
|
||||||
|
}
|
||||||
|
.org-highlight {
|
||||||
|
/* highlight */
|
||||||
|
background-color: #b4eeb4;
|
||||||
|
}
|
||||||
|
.org-holiday {
|
||||||
|
/* holiday */
|
||||||
|
background-color: #ffc0cb;
|
||||||
|
}
|
||||||
|
.org-info-header-node {
|
||||||
|
/* info-header-node */
|
||||||
|
color: #a52a2a;
|
||||||
|
font-weight: bold;
|
||||||
|
font-style: italic;
|
||||||
|
}
|
||||||
|
.org-info-header-xref {
|
||||||
|
/* info-header-xref */
|
||||||
|
color: #0000ff;
|
||||||
|
text-decoration: underline;
|
||||||
|
}
|
||||||
|
.org-info-menu-header {
|
||||||
|
/* info-menu-header */
|
||||||
|
font-weight: bold;
|
||||||
|
}
|
||||||
|
.org-info-menu-star {
|
||||||
|
/* info-menu-star */
|
||||||
|
color: #ff0000;
|
||||||
|
}
|
||||||
|
.org-info-node {
|
||||||
|
/* info-node */
|
||||||
|
color: #a52a2a;
|
||||||
|
font-weight: bold;
|
||||||
|
font-style: italic;
|
||||||
|
}
|
||||||
|
.org-info-title-1 {
|
||||||
|
/* info-title-1 */
|
||||||
|
font-size: 172%;
|
||||||
|
font-weight: bold;
|
||||||
|
}
|
||||||
|
.org-info-title-2 {
|
||||||
|
/* info-title-2 */
|
||||||
|
font-size: 144%;
|
||||||
|
font-weight: bold;
|
||||||
|
}
|
||||||
|
.org-info-title-3 {
|
||||||
|
/* info-title-3 */
|
||||||
|
font-size: 120%;
|
||||||
|
font-weight: bold;
|
||||||
|
}
|
||||||
|
.org-info-title-4 {
|
||||||
|
/* info-title-4 */
|
||||||
|
font-weight: bold;
|
||||||
|
}
|
||||||
|
.org-info-xref {
|
||||||
|
/* info-xref */
|
||||||
|
color: #0000ff;
|
||||||
|
text-decoration: underline;
|
||||||
|
}
|
||||||
|
.org-isearch {
|
||||||
|
/* isearch */
|
||||||
|
color: #b0e2ff;
|
||||||
|
background-color: #cd00cd;
|
||||||
|
}
|
||||||
|
.org-italic {
|
||||||
|
/* italic */
|
||||||
|
font-style: italic;
|
||||||
|
}
|
||||||
|
.org-keyword {
|
||||||
|
/* font-lock-keyword-face */
|
||||||
|
color: #a020f0;
|
||||||
|
}
|
||||||
|
.org-lazy-highlight {
|
||||||
|
/* lazy-highlight */
|
||||||
|
background-color: #afeeee;
|
||||||
|
}
|
||||||
|
.org-link {
|
||||||
|
/* link */
|
||||||
|
color: #0000ff;
|
||||||
|
text-decoration: underline;
|
||||||
|
}
|
||||||
|
.org-link-visited {
|
||||||
|
/* link-visited */
|
||||||
|
color: #8b008b;
|
||||||
|
text-decoration: underline;
|
||||||
|
}
|
||||||
|
.org-match {
|
||||||
|
/* match */
|
||||||
|
background-color: #ffff00;
|
||||||
|
}
|
||||||
|
.org-menu {
|
||||||
|
}
|
||||||
|
.org-message-cited-text {
|
||||||
|
/* message-cited-text */
|
||||||
|
color: #ff0000;
|
||||||
|
}
|
||||||
|
.org-message-header-cc {
|
||||||
|
/* message-header-cc */
|
||||||
|
color: #191970;
|
||||||
|
}
|
||||||
|
.org-message-header-name {
|
||||||
|
/* message-header-name */
|
||||||
|
color: #6495ed;
|
||||||
|
}
|
||||||
|
.org-message-header-newsgroups {
|
||||||
|
/* message-header-newsgroups */
|
||||||
|
color: #00008b;
|
||||||
|
font-weight: bold;
|
||||||
|
font-style: italic;
|
||||||
|
}
|
||||||
|
.org-message-header-other {
|
||||||
|
/* message-header-other */
|
||||||
|
color: #4682b4;
|
||||||
|
}
|
||||||
|
.org-message-header-subject {
|
||||||
|
/* message-header-subject */
|
||||||
|
color: #000080;
|
||||||
|
font-weight: bold;
|
||||||
|
}
|
||||||
|
.org-message-header-to {
|
||||||
|
/* message-header-to */
|
||||||
|
color: #191970;
|
||||||
|
font-weight: bold;
|
||||||
|
}
|
||||||
|
.org-message-header-xheader {
|
||||||
|
/* message-header-xheader */
|
||||||
|
color: #0000ff;
|
||||||
|
}
|
||||||
|
.org-message-mml {
|
||||||
|
/* message-mml */
|
||||||
|
color: #228b22;
|
||||||
|
}
|
||||||
|
.org-message-separator {
|
||||||
|
/* message-separator */
|
||||||
|
color: #a52a2a;
|
||||||
|
}
|
||||||
|
.org-minibuffer-prompt {
|
||||||
|
/* minibuffer-prompt */
|
||||||
|
color: #0000cd;
|
||||||
|
}
|
||||||
|
.org-mm-uu-extract {
|
||||||
|
/* mm-uu-extract */
|
||||||
|
color: #006400;
|
||||||
|
background-color: #ffffe0;
|
||||||
|
}
|
||||||
|
.org-mode-line {
|
||||||
|
/* mode-line */
|
||||||
|
color: #000000;
|
||||||
|
background-color: #bfbfbf;
|
||||||
|
}
|
||||||
|
.org-mode-line-buffer-id {
|
||||||
|
/* mode-line-buffer-id */
|
||||||
|
font-weight: bold;
|
||||||
|
}
|
||||||
|
.org-mode-line-highlight {
|
||||||
|
}
|
||||||
|
.org-mode-line-inactive {
|
||||||
|
/* mode-line-inactive */
|
||||||
|
color: #333333;
|
||||||
|
background-color: #e5e5e5;
|
||||||
|
}
|
||||||
|
.org-mouse {
|
||||||
|
/* mouse */
|
||||||
|
background-color: #000000;
|
||||||
|
}
|
||||||
|
.org-negation-char {
|
||||||
|
}
|
||||||
|
.org-next-error {
|
||||||
|
/* next-error */
|
||||||
|
background-color: #eedc82;
|
||||||
|
}
|
||||||
|
.org-nobreak-space {
|
||||||
|
/* nobreak-space */
|
||||||
|
color: #a52a2a;
|
||||||
|
text-decoration: underline;
|
||||||
|
}
|
||||||
|
.org-org-agenda-date {
|
||||||
|
/* org-agenda-date */
|
||||||
|
color: #0000ff;
|
||||||
|
}
|
||||||
|
.org-org-agenda-date-weekend {
|
||||||
|
/* org-agenda-date-weekend */
|
||||||
|
color: #0000ff;
|
||||||
|
font-weight: bold;
|
||||||
|
}
|
||||||
|
.org-org-agenda-restriction-lock {
|
||||||
|
/* org-agenda-restriction-lock */
|
||||||
|
background-color: #ffff00;
|
||||||
|
}
|
||||||
|
.org-org-agenda-structure {
|
||||||
|
/* org-agenda-structure */
|
||||||
|
color: #0000ff;
|
||||||
|
}
|
||||||
|
.org-org-archived {
|
||||||
|
/* org-archived */
|
||||||
|
color: #7f7f7f;
|
||||||
|
}
|
||||||
|
.org-org-code {
|
||||||
|
/* org-code */
|
||||||
|
color: #7f7f7f;
|
||||||
|
}
|
||||||
|
.org-org-column {
|
||||||
|
/* org-column */
|
||||||
|
background-color: #e5e5e5;
|
||||||
|
}
|
||||||
|
.org-org-column-title {
|
||||||
|
/* org-column-title */
|
||||||
|
background-color: #e5e5e5;
|
||||||
|
font-weight: bold;
|
||||||
|
text-decoration: underline;
|
||||||
|
}
|
||||||
|
.org-org-date {
|
||||||
|
/* org-date */
|
||||||
|
color: #a020f0;
|
||||||
|
text-decoration: underline;
|
||||||
|
}
|
||||||
|
.org-org-done {
|
||||||
|
/* org-done */
|
||||||
|
color: #228b22;
|
||||||
|
font-weight: bold;
|
||||||
|
}
|
||||||
|
.org-org-drawer {
|
||||||
|
/* org-drawer */
|
||||||
|
color: #0000ff;
|
||||||
|
}
|
||||||
|
.org-org-ellipsis {
|
||||||
|
/* org-ellipsis */
|
||||||
|
color: #b8860b;
|
||||||
|
text-decoration: underline;
|
||||||
|
}
|
||||||
|
.org-org-formula {
|
||||||
|
/* org-formula */
|
||||||
|
color: #b22222;
|
||||||
|
}
|
||||||
|
.org-org-headline-done {
|
||||||
|
/* org-headline-done */
|
||||||
|
color: #bc8f8f;
|
||||||
|
}
|
||||||
|
.org-org-hide {
|
||||||
|
/* org-hide */
|
||||||
|
color: #e5e5e5;
|
||||||
|
}
|
||||||
|
.org-org-latex-and-export-specials {
|
||||||
|
/* org-latex-and-export-specials */
|
||||||
|
color: #8b4513;
|
||||||
|
}
|
||||||
|
.org-org-level-1 {
|
||||||
|
/* org-level-1 */
|
||||||
|
color: #0000ff;
|
||||||
|
}
|
||||||
|
.org-org-level-2 {
|
||||||
|
/* org-level-2 */
|
||||||
|
color: #b8860b;
|
||||||
|
}
|
||||||
|
.org-org-level-3 {
|
||||||
|
/* org-level-3 */
|
||||||
|
color: #a020f0;
|
||||||
|
}
|
||||||
|
.org-org-level-4 {
|
||||||
|
/* org-level-4 */
|
||||||
|
color: #b22222;
|
||||||
|
}
|
||||||
|
.org-org-level-5 {
|
||||||
|
/* org-level-5 */
|
||||||
|
color: #228b22;
|
||||||
|
}
|
||||||
|
.org-org-level-6 {
|
||||||
|
/* org-level-6 */
|
||||||
|
color: #5f9ea0;
|
||||||
|
}
|
||||||
|
.org-org-level-7 {
|
||||||
|
/* org-level-7 */
|
||||||
|
color: #da70d6;
|
||||||
|
}
|
||||||
|
.org-org-level-8 {
|
||||||
|
/* org-level-8 */
|
||||||
|
color: #bc8f8f;
|
||||||
|
}
|
||||||
|
.org-org-link {
|
||||||
|
/* org-link */
|
||||||
|
color: #a020f0;
|
||||||
|
text-decoration: underline;
|
||||||
|
}
|
||||||
|
.org-org-property-value {
|
||||||
|
}
|
||||||
|
.org-org-scheduled-previously {
|
||||||
|
/* org-scheduled-previously */
|
||||||
|
color: #b22222;
|
||||||
|
}
|
||||||
|
.org-org-scheduled-today {
|
||||||
|
/* org-scheduled-today */
|
||||||
|
color: #006400;
|
||||||
|
}
|
||||||
|
.org-org-sexp-date {
|
||||||
|
/* org-sexp-date */
|
||||||
|
color: #a020f0;
|
||||||
|
}
|
||||||
|
.org-org-special-keyword {
|
||||||
|
/* org-special-keyword */
|
||||||
|
color: #bc8f8f;
|
||||||
|
}
|
||||||
|
.org-org-table {
|
||||||
|
/* org-table */
|
||||||
|
color: #0000ff;
|
||||||
|
}
|
||||||
|
.org-org-tag {
|
||||||
|
/* org-tag */
|
||||||
|
font-weight: bold;
|
||||||
|
}
|
||||||
|
.org-org-target {
|
||||||
|
/* org-target */
|
||||||
|
text-decoration: underline;
|
||||||
|
}
|
||||||
|
.org-org-time-grid {
|
||||||
|
/* org-time-grid */
|
||||||
|
color: #b8860b;
|
||||||
|
}
|
||||||
|
.org-org-todo {
|
||||||
|
/* org-todo */
|
||||||
|
color: #ff0000;
|
||||||
|
}
|
||||||
|
.org-org-upcoming-deadline {
|
||||||
|
/* org-upcoming-deadline */
|
||||||
|
color: #b22222;
|
||||||
|
}
|
||||||
|
.org-org-verbatim {
|
||||||
|
/* org-verbatim */
|
||||||
|
color: #7f7f7f;
|
||||||
|
text-decoration: underline;
|
||||||
|
}
|
||||||
|
.org-org-warning {
|
||||||
|
/* org-warning */
|
||||||
|
color: #ff0000;
|
||||||
|
font-weight: bold;
|
||||||
|
}
|
||||||
|
.org-outline-1 {
|
||||||
|
/* outline-1 */
|
||||||
|
color: #0000ff;
|
||||||
|
}
|
||||||
|
.org-outline-2 {
|
||||||
|
/* outline-2 */
|
||||||
|
color: #b8860b;
|
||||||
|
}
|
||||||
|
.org-outline-3 {
|
||||||
|
/* outline-3 */
|
||||||
|
color: #a020f0;
|
||||||
|
}
|
||||||
|
.org-outline-4 {
|
||||||
|
/* outline-4 */
|
||||||
|
color: #b22222;
|
||||||
|
}
|
||||||
|
.org-outline-5 {
|
||||||
|
/* outline-5 */
|
||||||
|
color: #228b22;
|
||||||
|
}
|
||||||
|
.org-outline-6 {
|
||||||
|
/* outline-6 */
|
||||||
|
color: #5f9ea0;
|
||||||
|
}
|
||||||
|
.org-outline-7 {
|
||||||
|
/* outline-7 */
|
||||||
|
color: #da70d6;
|
||||||
|
}
|
||||||
|
.org-outline-8 {
|
||||||
|
/* outline-8 */
|
||||||
|
color: #bc8f8f;
|
||||||
|
}
|
||||||
|
.outline-text-1, .outline-text-2, .outline-text-3, .outline-text-4, .outline-text-5, .outline-text-6 {
|
||||||
|
/* Add more spacing between section. Padding, so that folding with org-info.js works as expected. */
|
||||||
|
|
||||||
|
}
|
||||||
|
|
||||||
|
.org-preprocessor {
|
||||||
|
/* font-lock-preprocessor-face */
|
||||||
|
color: #da70d6;
|
||||||
|
}
|
||||||
|
.org-query-replace {
|
||||||
|
/* query-replace */
|
||||||
|
color: #b0e2ff;
|
||||||
|
background-color: #cd00cd;
|
||||||
|
}
|
||||||
|
.org-regexp-grouping-backslash {
|
||||||
|
/* font-lock-regexp-grouping-backslash */
|
||||||
|
font-weight: bold;
|
||||||
|
}
|
||||||
|
.org-regexp-grouping-construct {
|
||||||
|
/* font-lock-regexp-grouping-construct */
|
||||||
|
font-weight: bold;
|
||||||
|
}
|
||||||
|
.org-region {
|
||||||
|
/* region */
|
||||||
|
background-color: #eedc82;
|
||||||
|
}
|
||||||
|
.org-rmail-highlight {
|
||||||
|
}
|
||||||
|
.org-scroll-bar {
|
||||||
|
/* scroll-bar */
|
||||||
|
background-color: #bfbfbf;
|
||||||
|
}
|
||||||
|
.org-secondary-selection {
|
||||||
|
/* secondary-selection */
|
||||||
|
background-color: #ffff00;
|
||||||
|
}
|
||||||
|
.org-shadow {
|
||||||
|
/* shadow */
|
||||||
|
color: #7f7f7f;
|
||||||
|
}
|
||||||
|
.org-show-paren-match {
|
||||||
|
/* show-paren-match */
|
||||||
|
background-color: #40e0d0;
|
||||||
|
}
|
||||||
|
.org-show-paren-mismatch {
|
||||||
|
/* show-paren-mismatch */
|
||||||
|
color: #ffffff;
|
||||||
|
background-color: #a020f0;
|
||||||
|
}
|
||||||
|
.org-string {
|
||||||
|
/* font-lock-string-face */
|
||||||
|
color: #bc8f8f;
|
||||||
|
}
|
||||||
|
.org-texinfo-heading {
|
||||||
|
/* texinfo-heading */
|
||||||
|
color: #0000ff;
|
||||||
|
}
|
||||||
|
.org-tool-bar {
|
||||||
|
/* tool-bar */
|
||||||
|
color: #000000;
|
||||||
|
background-color: #bfbfbf;
|
||||||
|
}
|
||||||
|
.org-tooltip {
|
||||||
|
/* tooltip */
|
||||||
|
color: #000000;
|
||||||
|
background-color: #ffffe0;
|
||||||
|
}
|
||||||
|
.org-trailing-whitespace {
|
||||||
|
/* trailing-whitespace */
|
||||||
|
background-color: #ff0000;
|
||||||
|
}
|
||||||
|
.org-type {
|
||||||
|
/* font-lock-type-face */
|
||||||
|
color: #228b22;
|
||||||
|
}
|
||||||
|
.org-underline {
|
||||||
|
/* underline */
|
||||||
|
text-decoration: underline;
|
||||||
|
}
|
||||||
|
.org-variable-name {
|
||||||
|
/* font-lock-variable-name-face */
|
||||||
|
color: #b8860b;
|
||||||
|
}
|
||||||
|
.org-variable-pitch {
|
||||||
|
}
|
||||||
|
.org-vertical-border {
|
||||||
|
}
|
||||||
|
.org-warning {
|
||||||
|
/* font-lock-warning-face */
|
||||||
|
color: #ff0000;
|
||||||
|
font-weight: bold;
|
||||||
|
}
|
||||||
|
.rss_box {}
|
||||||
|
.rss_title, rss_title a {}
|
||||||
|
.rss_items {}
|
||||||
|
.rss_item a:link, .rss_item a:visited, .rss_item a:active {}
|
||||||
|
.rss_item a:hover {}
|
||||||
|
.rss_date {}
|
||||||
|
|
||||||
|
pre.src {
|
||||||
|
position: static;
|
||||||
|
overflow: visible;
|
||||||
|
padding-top: 1.2em;
|
||||||
|
}
|
||||||
|
|
||||||
|
label.org-src-name {
|
||||||
|
font-size: 80%;
|
||||||
|
font-style: italic;
|
||||||
|
}
|
||||||
|
|
||||||
|
#show_source {margin: 0; padding: 0;}
|
||||||
|
|
||||||
|
#postamble {
|
||||||
|
font-size: 75%;
|
||||||
|
min-width: 700px;
|
||||||
|
max-width: 80%;
|
||||||
|
line-height: 14pt;
|
||||||
|
margin-left: 20px;
|
||||||
|
margin-top: 10px;
|
||||||
|
padding: .2em;
|
||||||
|
background-color: #ffffff;
|
||||||
|
z-index: -1000;
|
||||||
|
}
|
||||||
|
|
||||||
|
|
||||||
|
} /* END OF @media all */
|
||||||
|
|
||||||
|
@media screen
|
||||||
|
{
|
||||||
|
#table-of-contents {
|
||||||
|
position: fixed;
|
||||||
|
margin-top: 105px;
|
||||||
|
float: right;
|
||||||
|
border: 1px solid #red;
|
||||||
|
max-width: 50%;
|
||||||
|
overflow: auto;
|
||||||
|
}
|
||||||
|
} /* END OF @media screen */
|
||||||
|
|
@ -1,7 +1,15 @@
|
||||||
# -*- mode: org; -*-
|
# -*- mode: org; -*-
|
||||||
|
|
||||||
#+HTML_LINK_HOME: index.html
|
#+HTML_LINK_HOME: index.html
|
||||||
#+OPTIONS: H:4 num:t toc:t \n:nil @:t ::t |:t ^:t -:t f:t *:t <:t
|
#+OPTIONS: H:4 num:t toc:t \n:nil @:t ::t |:t ^:t -:t f:t *:t <:t d:(HIDE)
|
||||||
#+SETUPFILE: ../docs/org-html-themes/org/theme-readtheorg.setup
|
|
||||||
|
# SETUPFILE: ../docs/org-html-themes/org/theme-readtheorg.setup
|
||||||
|
|
||||||
|
#+INFOJS_OPT: toc:t mouse:underline path:org-info.js
|
||||||
|
#+HTML_HEAD: <link rel="stylesheet" title="Standard" href="qmckl.css" type="text/css" />
|
||||||
|
|
||||||
|
#+STARTUP: align fold nodlcheck hidestars oddeven lognotestate
|
||||||
|
#+AUTHOR: TREX CoE
|
||||||
|
#+LANGUAGE: en
|
||||||
|
|
||||||
|
|
||||||
|
|
|
||||||
20
src/Makefile
20
src/Makefile
|
|
@ -3,6 +3,11 @@
|
||||||
|
|
||||||
# This file was created by tools/Building.org
|
# This file was created by tools/Building.org
|
||||||
|
|
||||||
|
# Dependencies
|
||||||
|
|
||||||
|
|
||||||
|
LIBS=-lpthread
|
||||||
|
|
||||||
# Variables
|
# Variables
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -39,7 +44,7 @@ FFLAGS=-fPIC $(INCLUDE) \
|
||||||
-Wreal-q-constant -Wuninitialized -fbacktrace -finit-real=nan \
|
-Wreal-q-constant -Wuninitialized -fbacktrace -finit-real=nan \
|
||||||
-ffpe-trap=zero,overflow,underflow
|
-ffpe-trap=zero,overflow,underflow
|
||||||
|
|
||||||
LIBS=-lgfortran -lm
|
LIBS+=-lgfortran -lm
|
||||||
#----------------------------------------------------------
|
#----------------------------------------------------------
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
|
@ -54,7 +59,7 @@ CFLAGS=-fPIC -g -O2 $(INCLUDE)
|
||||||
FC=ifort -xHost
|
FC=ifort -xHost
|
||||||
FFLAGS=-fPIC -g -O2 $(INCLUDE)
|
FFLAGS=-fPIC -g -O2 $(INCLUDE)
|
||||||
|
|
||||||
LIBS=-lm -lifcore -lirc
|
LIBS+=-lm -lifcore -lirc
|
||||||
#----------------------------------------------------------
|
#----------------------------------------------------------
|
||||||
CC=icc -xHost
|
CC=icc -xHost
|
||||||
endif
|
endif
|
||||||
|
|
@ -70,12 +75,14 @@ CFLAGS=-fPIC -g -O2 $(INCLUDE)
|
||||||
FC=flang
|
FC=flang
|
||||||
FFLAGS=fPIC -g -O2 $(INCLUDE)
|
FFLAGS=fPIC -g -O2 $(INCLUDE)
|
||||||
|
|
||||||
LIBS=-lm
|
LIBS+=-lm
|
||||||
#----------------------------------------------------------
|
#----------------------------------------------------------
|
||||||
endif
|
endif
|
||||||
|
|
||||||
# Rules
|
# Rules
|
||||||
|
|
||||||
|
# The source files are created during the generation of the file ~Makefile.generated~.
|
||||||
|
|
||||||
|
|
||||||
.PHONY: clean
|
.PHONY: clean
|
||||||
.SECONDARY: # Needed to keep the produced C and Fortran files
|
.SECONDARY: # Needed to keep the produced C and Fortran files
|
||||||
|
|
@ -83,14 +90,17 @@ endif
|
||||||
libqmckl.so: Makefile.generated
|
libqmckl.so: Makefile.generated
|
||||||
$(MAKE) -f Makefile.generated
|
$(MAKE) -f Makefile.generated
|
||||||
|
|
||||||
test: Makefile.generated
|
../include/qmckl.h: libqmckl.so
|
||||||
|
../tools/build_qmckl_h.sh
|
||||||
|
|
||||||
|
test: Makefile.generated ../include/qmckl.h
|
||||||
$(MAKE) -f Makefile.generated test
|
$(MAKE) -f Makefile.generated test
|
||||||
|
|
||||||
doc: $(ORG_SOURCE_FILES)
|
doc: $(ORG_SOURCE_FILES)
|
||||||
$(QMCKL_ROOT)/tools/create_doc.sh
|
$(QMCKL_ROOT)/tools/create_doc.sh
|
||||||
|
|
||||||
clean:
|
clean:
|
||||||
$(RM) qmckl.h test_qmckl_* test_qmckl.c test_qmckl \
|
$(RM) test_qmckl_* test_qmckl.c test_qmckl \
|
||||||
qmckl_*.f90 qmckl_*.c qmckl_*.o qmckl_*.h \
|
qmckl_*.f90 qmckl_*.c qmckl_*.o qmckl_*.h \
|
||||||
Makefile.generated libqmckl.so *.html *.mod
|
Makefile.generated libqmckl.so *.html *.mod
|
||||||
|
|
||||||
|
|
|
||||||
284
src/README.org
284
src/README.org
|
|
@ -1,246 +1,68 @@
|
||||||
#+TITLE: QMCkl source code documentation
|
#+TITLE: QMCkl source code documentation
|
||||||
#+EXPORT_FILE_NAME: index.html
|
|
||||||
#+PROPERTY: comments org
|
#+PROPERTY: comments org
|
||||||
#+SETUPFILE: ../docs/theme.setup
|
#+SETUPFILE: ../docs/theme.setup
|
||||||
|
|
||||||
|
------------------
|
||||||
|
|
||||||
|
|
||||||
* Introduction
|
#+begin_comment
|
||||||
|
The .org files is included here in the order specified in the
|
||||||
|
table_of_contents file.
|
||||||
|
#+end_comment
|
||||||
|
|
||||||
|
#+NAME: toc
|
||||||
|
#+begin_src sh :exports none
|
||||||
|
grep TITLE $(cat table_of_contents) | tr ':' ' '
|
||||||
|
#+end_src
|
||||||
|
|
||||||
|
#+RESULTS: toc
|
||||||
|
| qmckl.org | #+TITLE | Header | files |
|
||||||
|
| qmckl_error.org | #+TITLE | Error | handling |
|
||||||
|
| qmckl_context.org | #+TITLE | Context | |
|
||||||
|
| qmckl_precision.org | #+TITLE | Multi-precision | |
|
||||||
|
| qmckl_memory.org | #+TITLE | Memory | management |
|
||||||
|
| qmckl_distance.org | #+TITLE | Distances | |
|
||||||
|
| qmckl_ao.org | #+TITLE | Atomic | Orbitals |
|
||||||
|
| test_qmckl.org | #+TITLE | Testing | |
|
||||||
|
|
||||||
|
#+begin_src python :var data=toc :exports results :results raw
|
||||||
|
result = []
|
||||||
|
for row in data:
|
||||||
|
filename = row[0].split('.')[0] + ".html"
|
||||||
|
title = ' '.join(row[2:]).strip()
|
||||||
|
result += [ f" - [[./{filename}][{title}]]" ]
|
||||||
|
return '\n'.join(result)
|
||||||
|
#+end_src
|
||||||
|
|
||||||
|
#+RESULTS:
|
||||||
|
- [[./qmckl.html][Introduction]]
|
||||||
|
- [[./qmckl_error.html][Error handling]]
|
||||||
|
- [[./qmckl_context.html][Context]]
|
||||||
|
- [[./qmckl_precision.html][Multi-precision]]
|
||||||
|
- [[./qmckl_memory.html][Memory management]]
|
||||||
|
- [[./qmckl_distance.html][Distances]]
|
||||||
|
- [[./qmckl_ao.html][Atomic Orbitals]]
|
||||||
|
- [[./test_qmckl.html][Testing]]
|
||||||
|
|
||||||
|
|
||||||
|
--------------------------------
|
||||||
|
|
||||||
|
|
||||||
The ultimate goal of the QMCkl library is to provide a high-performance
|
The ultimate goal of the QMCkl library is to provide a high-performance
|
||||||
implementation of the main kernels of QMC. In this particular
|
implementation of the main kernels of QMC. In this particular
|
||||||
implementation of the library, we focus on the definition of the API and the tests, and
|
implementation of the library, we focus on the definition of the API
|
||||||
on a /pedagogical/ presentation of the algorithms. We expect the
|
and the tests, and on a /pedagogical/ presentation of the
|
||||||
HPC experts to use this repository as a reference for re-writing
|
algorithms. We expect the HPC experts to use this repository as a
|
||||||
optimized libraries.
|
reference for re-writing optimized libraries.
|
||||||
|
|
||||||
|
The source code of the library is available at
|
||||||
|
https://github.com/trex-coe/qmckl
|
||||||
|
and bug reports should be submitted at
|
||||||
|
https://github.com/trex-coe/qmckl/issues.
|
||||||
|
|
||||||
** Literate programming
|
------------------
|
||||||
|
|
||||||
In a traditional source code, most of the lines of source files of a program
|
[[https://trex-coe.eu/sites/default/files/inline-images/euflag.jpg]] [[https://trex-coe.eu][TREX: Targeting Real Chemical Accuracy at the Exascale]] project has received funding from the European Union’s Horizon 2020 - Research and Innovation program - under grant agreement no. 952165. The content of this document does not represent the opinion of the European Union, and the European Union is not responsible for any use that might be made of such content.
|
||||||
are code, scripts, Makefiles, and only a few lines are comments explaining
|
|
||||||
parts of the code that are non-trivial to understand. The documentation of
|
|
||||||
the prorgam is usually written in a separate directory, and is often outdated
|
|
||||||
compared to the code.
|
|
||||||
|
|
||||||
Literate programming is a different approach to programming,
|
# -*- mode: org -*-
|
||||||
where the program is considered as a publishable-quality document. Most of
|
|
||||||
the lines of the source files are text, mathematical formulas, tables,
|
|
||||||
figures, /etc/, and the lines of code are just the translation in a computer
|
|
||||||
language of the ideas and algorithms expressed in the text. More importantly,
|
|
||||||
the "document" is structured like a text document with sections, subsections,
|
|
||||||
a bibliography, a table of contents /etc/, and the place where pieces of code
|
|
||||||
appear are the places where they should belong for the reader to understand
|
|
||||||
the logic of the program, not the places where the compiler expects to find
|
|
||||||
them. Both the publishable-quality document and the binary executable are
|
|
||||||
produced from the same source files.
|
|
||||||
|
|
||||||
Literate programming is particularly well adapted in this context, as the
|
|
||||||
central part of this project is the documentation of an API. The
|
|
||||||
implementation of the algorithms is just an expression of the algorithms in a
|
|
||||||
language that can be compiled, so that the correctness of the algorithms can
|
|
||||||
be tested.
|
|
||||||
|
|
||||||
We have chosen to write the source files in [[https://karl-voit.at/2017/09/23/orgmode-as-markup-only/][org-mode]] format,
|
|
||||||
as any text editor can be used to edit org-mode files. To
|
|
||||||
produce the documentation, there exists multiple possibilities to convert
|
|
||||||
org-mode files into different formats such as HTML or PDF. The source code is
|
|
||||||
easily extracted from the org-mode files invoking the Emacs text editor from
|
|
||||||
the command-line in the =Makefile=, and then the produced files are compiled.
|
|
||||||
Moreover, within the Emacs text editor the source code blocks can be executed
|
|
||||||
interactively, in the same spirit as Jupyter notebooks.
|
|
||||||
|
|
||||||
|
|
||||||
** Source code editing
|
|
||||||
|
|
||||||
For a tutorial on literate programming with org-mode, follow [[http://www.howardism.org/Technical/Emacs/literate-programming-tutorial.html][this link]].
|
|
||||||
|
|
||||||
Any text editor can be used to edit org-mode files. For a better
|
|
||||||
user experience Emacs is recommended. For users hating Emacs, it
|
|
||||||
is good to know that Emacs can behave like Vim when switched into
|
|
||||||
``Evil'' mode.
|
|
||||||
|
|
||||||
In the =tools/init.el= file, we provide a minimal Emacs configuration
|
|
||||||
file for vim users. This file should be copied into =.emacs.d/init.el=.
|
|
||||||
|
|
||||||
For users with a preference for Jupyter notebooks, we also provide the
|
|
||||||
=tools/nb_to_org.sh= script can convert jupyter notebooks into org-mode
|
|
||||||
files.
|
|
||||||
|
|
||||||
Note that pandoc can be used to convert multiple markdown formats into
|
|
||||||
org-mode.
|
|
||||||
|
|
||||||
|
|
||||||
** Choice of the programming language
|
|
||||||
|
|
||||||
Most of the codes of the TREX CoE are written in Fortran with some scripts in
|
|
||||||
Bash and Python. Outside of the CoE, Fortran is also important (Casino, Amolqc),
|
|
||||||
and other important languages used by the community are C and C++ (QMCPack,
|
|
||||||
QWalk), and Julia is gaining in popularity. The library we design should be
|
|
||||||
compatible with all of these languages. The QMCkl API has to be compatible
|
|
||||||
with the C language since libraries with a C-compatible API can be used in
|
|
||||||
every other language.
|
|
||||||
|
|
||||||
High-performance versions of the QMCkl, with the same API, will be rewritten by
|
|
||||||
the experts in HPC. These optimized libraries will be tuned for specific
|
|
||||||
architectures, among which we can cite x86 based processors, and GPU
|
|
||||||
accelerators. Nowadays, the most efficient software tools to take advantage of
|
|
||||||
low-level features of the processor (intrinsics) and of GPUs are for C++
|
|
||||||
developers. It is highly probable that the optimized implementations will be
|
|
||||||
written in C++, and this is agreement with our choice to make the API
|
|
||||||
C-compatible.
|
|
||||||
|
|
||||||
Fortran is one of the most common languages used by the community, and is simple
|
|
||||||
enough to make the algorithms readable both by experts in QMC, and experts in
|
|
||||||
HPC. Hence we propose in this pedagogical implementation of QMCkl to use Fortran
|
|
||||||
to express the QMC algorithms. As the main languages of the library is C, this
|
|
||||||
implies that the exposed C functions call the Fortran routine. However, for
|
|
||||||
internal functions related to system programming, the C language is more natural
|
|
||||||
than Fortran.
|
|
||||||
|
|
||||||
The Fortran source files should provide a C interface using the
|
|
||||||
~iso_c_binding~ module. The name of the Fortran source files should end with
|
|
||||||
=_f.f90= to be properly handled by the =Makefile=. The names of the functions
|
|
||||||
defined in Fortran should be the same as those exposed in the API suffixed by
|
|
||||||
=_f=. Fortran interfaces should also be written in the =qmckl_f.f90= file.
|
|
||||||
|
|
||||||
For more guidelines on using Fortran to generate a C interface, see
|
|
||||||
[[http://fortranwiki.org/fortran/show/Generating+C+Interfaces][this link]].
|
|
||||||
|
|
||||||
|
|
||||||
# Coding style
|
|
||||||
# # TODO: decide on a coding style
|
|
||||||
|
|
||||||
# To improve readability, we maintain a consistent coding style in
|
|
||||||
# the library.
|
|
||||||
|
|
||||||
# - For C source files, we will use __(decide on a coding style)__
|
|
||||||
# - For Fortran source files, we will use __(decide on a coding
|
|
||||||
# style)__
|
|
||||||
|
|
||||||
# Coding style can be automatically checked with [[https://clang.llvm.org/docs/ClangFormat.html][clang-format]].
|
|
||||||
|
|
||||||
** Design of the library
|
|
||||||
|
|
||||||
The proposed API should allow the library to: deal with memory transfers
|
|
||||||
between CPU and accelerators, and to use different levels of floating-point
|
|
||||||
precision. We chose a multi-layered design with low-level and high-level
|
|
||||||
functions (see below).
|
|
||||||
|
|
||||||
*** Naming conventions
|
|
||||||
|
|
||||||
To avoid namespace collisions, we use =qmckl_= as a prefix for all exported
|
|
||||||
functions and variables. All exported header files should have a file name
|
|
||||||
prefixed with =qmckl_=.
|
|
||||||
|
|
||||||
If the name of the org-mode file is =xxx.org=, the name of the
|
|
||||||
produced C files should be =xxx.c= and =xxx.h= and the name of the
|
|
||||||
produced Fortran file should be =xxx.f90=.
|
|
||||||
|
|
||||||
Arrays are in uppercase and scalars are in lowercase.
|
|
||||||
|
|
||||||
In the names of the variables and functions, only the singular
|
|
||||||
form is allowed.
|
|
||||||
|
|
||||||
*** Application programming interface
|
|
||||||
|
|
||||||
In the C language, the number of bits used by the integer types can change
|
|
||||||
from one architecture to another one. To circumvent this problem, we choose to
|
|
||||||
use the integer types defined in ~<stdint.h>~ where the number of bits used for
|
|
||||||
the integers are fixed.
|
|
||||||
|
|
||||||
To ensure that the library will be easily usable in /any/ other language
|
|
||||||
than C, we restrict the data types in the interfaces to the following:
|
|
||||||
- 32-bit and 64-bit integers, scalars and and arrays (~int32_t~ and ~int64_t~)
|
|
||||||
- 32-bit and 64-bit floats, scalars and and arrays (~float~ and ~double~)
|
|
||||||
- Pointers are always casted into 64-bit integers, even on legacy 32-bit architectures
|
|
||||||
- ASCII strings are represented as a pointers to character arrays
|
|
||||||
and terminated by a ~'\0'~ character (C convention).
|
|
||||||
- Complex numbers can be represented by an array of 2 floats.
|
|
||||||
- Boolean variables are stored as integers, ~1~ for ~true~ and ~0~ for ~false~
|
|
||||||
- Floating point variables should be by default
|
|
||||||
- ~double~ unless explicitly mentioned
|
|
||||||
- integers used for counting should always be ~int64_t~
|
|
||||||
|
|
||||||
To facilitate the use in other languages than C, we will provide some
|
|
||||||
bindings in other languages in other repositories.
|
|
||||||
|
|
||||||
# TODO : Link to repositories for bindings
|
|
||||||
# To facilitate the use in other languages than C, we provide some
|
|
||||||
# bindings in other languages in other repositories.
|
|
||||||
|
|
||||||
*** Global state
|
|
||||||
|
|
||||||
Global variables should be avoided in the library, because it is
|
|
||||||
possible that one single program needs to use multiple instances
|
|
||||||
of the library. To solve this problem we propose to use a pointer
|
|
||||||
to a =context= variable, built by the library with the
|
|
||||||
=qmckl_context_create= function. The =context= contains the global
|
|
||||||
state of the library, and is used as the first argument of many
|
|
||||||
QMCkl functions.
|
|
||||||
|
|
||||||
The internal structure of the context is not specified, to give a
|
|
||||||
maximum of freedom to the different implementations. Modifying
|
|
||||||
the state is done by setters and getters, prefixed by
|
|
||||||
=qmckl_context_set_= an =qmckl_context_get_=. When a context
|
|
||||||
variable is modified by a setter, a copy of the old data structure
|
|
||||||
is made and updated, and the pointer to the new data structure is
|
|
||||||
returned, such that the old contexts can still be accessed. It is
|
|
||||||
also possible to modify the state in an impure fashion, using the
|
|
||||||
=qmckl_context_update_= functions. The context and its old
|
|
||||||
versions can be destroyed with =qmckl_context_destroy=.
|
|
||||||
|
|
||||||
*** Low-level functions
|
|
||||||
|
|
||||||
Low-level functions are very simple functions which are leaves of
|
|
||||||
the function call tree (they don't call any other QMCkl function).
|
|
||||||
|
|
||||||
These functions are /pure/, and unaware of the QMCkl
|
|
||||||
=context=. They are not allowed to allocate/deallocate memory, and
|
|
||||||
if they need temporary memory it should be provided in input.
|
|
||||||
|
|
||||||
*** High-level functions
|
|
||||||
|
|
||||||
High-level functions are at the top of the function call tree.
|
|
||||||
They are able to choose which lower-level function to call
|
|
||||||
depending on the required precision, and do the corresponding type
|
|
||||||
conversions. These functions are also responsible for allocating
|
|
||||||
temporary storage, to simplify the use of accelerators.
|
|
||||||
|
|
||||||
The high-level functions should be pure, unless the introduction
|
|
||||||
of non-purity is justified. All the side effects should be made in
|
|
||||||
the =context= variable.
|
|
||||||
|
|
||||||
# TODO : We need an identifier for impure functions
|
|
||||||
|
|
||||||
*** Numerical precision
|
|
||||||
|
|
||||||
The number of bits of precision required for a function should be
|
|
||||||
given as an input of low-level computational functions. This input
|
|
||||||
will be used to define the values of the different thresholds that
|
|
||||||
might be used to avoid computing unnecessary noise. High-level
|
|
||||||
functions will use the precision specified in the =context=
|
|
||||||
variable.
|
|
||||||
|
|
||||||
** Algorithms
|
|
||||||
|
|
||||||
Reducing the scaling of an algorithm usually implies also reducing
|
|
||||||
its arithmetic complexity (number of flops per byte). Therefore,
|
|
||||||
for small sizes \(\mathcal{O}(N^3)\) and \(\mathcal{O}(N^2)\)
|
|
||||||
algorithms are better adapted than linear scaling algorithms. As
|
|
||||||
QMCkl is a general purpose library, multiple algorithms should be
|
|
||||||
implemented adapted to different problem sizes.
|
|
||||||
|
|
||||||
** Rules for the API
|
|
||||||
|
|
||||||
- =stdint= should be used for integers (=int32_t=, =int64_t=)
|
|
||||||
- integers used for counting should always be =int64_t=
|
|
||||||
- floats should be by default =double=, unless explicitly mentioned
|
|
||||||
- pointers are converted to =int64_t= to increase portability
|
|
||||||
|
|
||||||
* Documentation
|
|
||||||
|
|
||||||
# The .org files will be appended here in the order specified in the
|
|
||||||
# table_of_contents file
|
|
||||||
|
|
||||||
|
|
|
||||||
250
src/qmckl.org
250
src/qmckl.org
|
|
@ -1,19 +1,253 @@
|
||||||
#+TITLE: Header files
|
#+TITLE: Introduction
|
||||||
|
#+PROPERTY: comments org
|
||||||
#+SETUPFILE: ../docs/theme.setup
|
#+SETUPFILE: ../docs/theme.setup
|
||||||
|
# -*- mode: org -*-
|
||||||
|
|
||||||
The =qmckl.h= header file has to be included in <<<C>>> codes when
|
* Using QMCkl
|
||||||
|
|
||||||
|
The =qmckl.h= header file has to be included in C codes when
|
||||||
QMCkl functions are used:
|
QMCkl functions are used:
|
||||||
|
|
||||||
#+begin_src c :tangle none
|
#+begin_src c :tangle no
|
||||||
#include "qmckl.h"
|
#include "qmckl.h"
|
||||||
#+end_src f90
|
#+end_src
|
||||||
|
|
||||||
|
In Fortran programs, the =qmckl_f.f90= interface file should be
|
||||||
In <<<Fortran>>> programs, the =qmckl_f.f90= interface file should be
|
|
||||||
included in the source code using the library, and the Fortran codes
|
included in the source code using the library, and the Fortran codes
|
||||||
should use the ~qmckl~ module as
|
should use the ~qmckl~ module as
|
||||||
|
|
||||||
#+begin_src f90 :tangle none
|
#+begin_src f90 :tangle no
|
||||||
use qmckl
|
use qmckl
|
||||||
#+end_src f90
|
#+end_src
|
||||||
|
|
||||||
|
Both files are located in the =include/= directory.
|
||||||
|
|
||||||
|
* Developing in QMCkl
|
||||||
|
|
||||||
|
** Literate programming
|
||||||
|
|
||||||
|
In a traditional source code, most of the lines of source files of a program
|
||||||
|
are code, scripts, Makefiles, and only a few lines are comments explaining
|
||||||
|
parts of the code that are non-trivial to understand. The documentation of
|
||||||
|
the prorgam is usually written in a separate directory, and is often outdated
|
||||||
|
compared to the code.
|
||||||
|
|
||||||
|
Literate programming is a different approach to programming,
|
||||||
|
where the program is considered as a publishable-quality document. Most of
|
||||||
|
the lines of the source files are text, mathematical formulas, tables,
|
||||||
|
figures, /etc/, and the lines of code are just the translation in a computer
|
||||||
|
language of the ideas and algorithms expressed in the text. More importantly,
|
||||||
|
the "document" is structured like a text document with sections, subsections,
|
||||||
|
a bibliography, a table of contents /etc/, and the place where pieces of code
|
||||||
|
appear are the places where they should belong for the reader to understand
|
||||||
|
the logic of the program, not the places where the compiler expects to find
|
||||||
|
them. Both the publishable-quality document and the binary executable are
|
||||||
|
produced from the same source files.
|
||||||
|
|
||||||
|
Literate programming is particularly well adapted in this context, as the
|
||||||
|
central part of this project is the documentation of an API. The
|
||||||
|
implementation of the algorithms is just an expression of the algorithms in a
|
||||||
|
language that can be compiled, so that the correctness of the algorithms can
|
||||||
|
be tested.
|
||||||
|
|
||||||
|
We have chosen to write the source files in [[https://karl-voit.at/2017/09/23/orgmode-as-markup-only/][org-mode]] format,
|
||||||
|
as any text editor can be used to edit org-mode files. To
|
||||||
|
produce the documentation, there exists multiple possibilities to convert
|
||||||
|
org-mode files into different formats such as HTML or PDF. The source code is
|
||||||
|
easily extracted from the org-mode files invoking the Emacs text editor from
|
||||||
|
the command-line in the =Makefile=, and then the produced files are compiled.
|
||||||
|
Moreover, within the Emacs text editor the source code blocks can be executed
|
||||||
|
interactively, in the same spirit as Jupyter notebooks.
|
||||||
|
|
||||||
|
|
||||||
|
** Source code editing
|
||||||
|
|
||||||
|
For a tutorial on literate programming with org-mode, follow [[http://www.howardism.org/Technical/Emacs/literate-programming-tutorial.html][this link]].
|
||||||
|
|
||||||
|
Any text editor can be used to edit org-mode files. For a better
|
||||||
|
user experience Emacs is recommended. For users hating Emacs, it
|
||||||
|
is good to know that Emacs can behave like Vim when switched into
|
||||||
|
``Evil'' mode.
|
||||||
|
|
||||||
|
In the =tools/init.el= file, we provide a minimal Emacs configuration
|
||||||
|
file for vim users. This file should be copied into =.emacs.d/init.el=.
|
||||||
|
|
||||||
|
For users with a preference for Jupyter notebooks, we also provide the
|
||||||
|
=tools/nb_to_org.sh= script can convert jupyter notebooks into org-mode
|
||||||
|
files.
|
||||||
|
|
||||||
|
Note that pandoc can be used to convert multiple markdown formats into
|
||||||
|
org-mode.
|
||||||
|
|
||||||
|
|
||||||
|
** Choice of the programming language
|
||||||
|
|
||||||
|
Most of the codes of the [[https://trex-coe.eu][TREX CoE]] are written in Fortran with some scripts in
|
||||||
|
Bash and Python. Outside of the CoE, Fortran is also important (Casino, Amolqc),
|
||||||
|
and other important languages used by the community are C and C++ (QMCPack,
|
||||||
|
QWalk), and Julia is gaining in popularity. The library we design should be
|
||||||
|
compatible with all of these languages. The QMCkl API has to be compatible
|
||||||
|
with the C language since libraries with a C-compatible API can be used in
|
||||||
|
every other language.
|
||||||
|
|
||||||
|
High-performance versions of the QMCkl, with the same API, will be rewritten by
|
||||||
|
the experts in HPC. These optimized libraries will be tuned for specific
|
||||||
|
architectures, among which we can cite x86 based processors, and GPU
|
||||||
|
accelerators. Nowadays, the most efficient software tools to take advantage of
|
||||||
|
low-level features of the processor (intrinsics) and of GPUs are for C++
|
||||||
|
developers. It is highly probable that the optimized implementations will be
|
||||||
|
written in C++, and this is agreement with our choice to make the API
|
||||||
|
C-compatible.
|
||||||
|
|
||||||
|
Fortran is one of the most common languages used by the community, and is simple
|
||||||
|
enough to make the algorithms readable both by experts in QMC, and experts in
|
||||||
|
HPC. Hence we propose in this pedagogical implementation of QMCkl to use Fortran
|
||||||
|
to express the QMC algorithms. As the main languages of the library is C, this
|
||||||
|
implies that the exposed C functions call the Fortran routine. However, for
|
||||||
|
internal functions related to system programming, the C language is more natural
|
||||||
|
than Fortran.
|
||||||
|
|
||||||
|
The Fortran source files should provide a C interface using the
|
||||||
|
~iso_c_binding~ module. The name of the Fortran source files should end with
|
||||||
|
=_f.f90= to be properly handled by the =Makefile=. The names of the functions
|
||||||
|
defined in Fortran should be the same as those exposed in the API suffixed by
|
||||||
|
=_f=. Fortran interfaces should also be written in the =qmckl_f.f90= file.
|
||||||
|
|
||||||
|
For more guidelines on using Fortran to generate a C interface, see
|
||||||
|
[[http://fortranwiki.org/fortran/show/Generating+C+Interfaces][this link]].
|
||||||
|
|
||||||
|
|
||||||
|
# Coding style
|
||||||
|
# # TODO: decide on a coding style
|
||||||
|
|
||||||
|
# To improve readability, we maintain a consistent coding style in
|
||||||
|
# the library.
|
||||||
|
|
||||||
|
# - For C source files, we will use __(decide on a coding style)__
|
||||||
|
# - For Fortran source files, we will use __(decide on a coding
|
||||||
|
# style)__
|
||||||
|
|
||||||
|
# Coding style can be automatically checked with [[https://clang.llvm.org/docs/ClangFormat.html][clang-format]].
|
||||||
|
|
||||||
|
** Design of the library
|
||||||
|
|
||||||
|
The proposed API should allow the library to: deal with memory transfers
|
||||||
|
between CPU and accelerators, and to use different levels of floating-point
|
||||||
|
precision. We chose a multi-layered design with low-level and high-level
|
||||||
|
functions (see below).
|
||||||
|
|
||||||
|
** Naming conventions
|
||||||
|
|
||||||
|
To avoid namespace collisions, we use =qmckl_= as a prefix for all exported
|
||||||
|
functions and variables. All exported header files should have a file name
|
||||||
|
prefixed with =qmckl_=.
|
||||||
|
|
||||||
|
If the name of the org-mode file is =xxx.org=, the name of the
|
||||||
|
produced C files should be =xxx.c= and =xxx.h= and the name of the
|
||||||
|
produced Fortran file should be =xxx.f90=.
|
||||||
|
|
||||||
|
Arrays are in uppercase and scalars are in lowercase.
|
||||||
|
|
||||||
|
In the names of the variables and functions, only the singular
|
||||||
|
form is allowed.
|
||||||
|
|
||||||
|
** Application programming interface
|
||||||
|
|
||||||
|
In the C language, the number of bits used by the integer types can change
|
||||||
|
from one architecture to another one. To circumvent this problem, we choose to
|
||||||
|
use the integer types defined in ~<stdint.h>~ where the number of bits used for
|
||||||
|
the integers are fixed.
|
||||||
|
|
||||||
|
To ensure that the library will be easily usable in /any/ other language
|
||||||
|
than C, we restrict the data types in the interfaces to the following:
|
||||||
|
- 32-bit and 64-bit integers, scalars and and arrays (~int32_t~ and ~int64_t~)
|
||||||
|
- 32-bit and 64-bit floats, scalars and and arrays (~float~ and ~double~)
|
||||||
|
- Pointers are always casted into 64-bit integers, even on legacy 32-bit architectures
|
||||||
|
- ASCII strings are represented as a pointers to character arrays
|
||||||
|
and terminated by a ~'\0'~ character (C convention).
|
||||||
|
- Complex numbers can be represented by an array of 2 floats.
|
||||||
|
- Boolean variables are stored as integers, ~1~ for ~true~ and ~0~ for ~false~
|
||||||
|
- Floating point variables should be by default
|
||||||
|
- ~double~ unless explicitly mentioned
|
||||||
|
- integers used for counting should always be ~int64_t~
|
||||||
|
|
||||||
|
To facilitate the use in other languages than C, we will provide some
|
||||||
|
bindings in other languages in other repositories.
|
||||||
|
|
||||||
|
# TODO : Link to repositories for bindings
|
||||||
|
# To facilitate the use in other languages than C, we provide some
|
||||||
|
# bindings in other languages in other repositories.
|
||||||
|
|
||||||
|
** Global state
|
||||||
|
|
||||||
|
Global variables should be avoided in the library, because it is
|
||||||
|
possible that one single program needs to use multiple instances
|
||||||
|
of the library. To solve this problem we propose to use a pointer
|
||||||
|
to a [[./qmckl_context.html][=context=]] variable, built by the library with the
|
||||||
|
=qmckl_context_create= function. The <<<=context=>>> contains the global
|
||||||
|
state of the library, and is used as the first argument of many
|
||||||
|
QMCkl functions.
|
||||||
|
|
||||||
|
The internal structure of the context is not specified, to give a
|
||||||
|
maximum of freedom to the different implementations. Modifying
|
||||||
|
the state is done by setters and getters, prefixed by
|
||||||
|
=qmckl_context_set_= an =qmckl_context_get_=. When a context
|
||||||
|
variable is modified by a setter, a copy of the old data structure
|
||||||
|
is made and updated, and the pointer to the new data structure is
|
||||||
|
returned, such that the old contexts can still be accessed. It is
|
||||||
|
also possible to modify the state in an impure fashion, using the
|
||||||
|
=qmckl_context_update_= functions. The context and its old
|
||||||
|
versions can be destroyed with =qmckl_context_destroy=.
|
||||||
|
|
||||||
|
** Low-level functions
|
||||||
|
|
||||||
|
Low-level functions are very simple functions which are leaves of
|
||||||
|
the function call tree (they don't call any other QMCkl function).
|
||||||
|
|
||||||
|
These functions are /pure/, and unaware of the QMCkl
|
||||||
|
=context=. They are not allowed to allocate/deallocate memory, and
|
||||||
|
if they need temporary memory it should be provided in input.
|
||||||
|
|
||||||
|
** High-level functions
|
||||||
|
|
||||||
|
High-level functions are at the top of the function call tree.
|
||||||
|
They are able to choose which lower-level function to call
|
||||||
|
depending on the required precision, and do the corresponding type
|
||||||
|
conversions. These functions are also responsible for allocating
|
||||||
|
temporary storage, to simplify the use of accelerators.
|
||||||
|
|
||||||
|
The high-level functions should be pure, unless the introduction
|
||||||
|
of non-purity is justified. All the side effects should be made in
|
||||||
|
the =context= variable.
|
||||||
|
|
||||||
|
# TODO : We need an identifier for impure functions
|
||||||
|
|
||||||
|
** Numerical precision
|
||||||
|
|
||||||
|
The number of bits of precision required for a function should be
|
||||||
|
given as an input of low-level computational functions. This input
|
||||||
|
will be used to define the values of the different thresholds that
|
||||||
|
might be used to avoid computing unnecessary noise. High-level
|
||||||
|
functions will use the precision specified in the =context=
|
||||||
|
variable.
|
||||||
|
|
||||||
|
** Algorithms
|
||||||
|
|
||||||
|
Reducing the scaling of an algorithm usually implies also reducing
|
||||||
|
its arithmetic complexity (number of flops per byte). Therefore,
|
||||||
|
for small sizes \(\mathcal{O}(N^3)\) and \(\mathcal{O}(N^2)\)
|
||||||
|
algorithms are better adapted than linear scaling algorithms. As
|
||||||
|
QMCkl is a general purpose library, multiple algorithms should be
|
||||||
|
implemented adapted to different problem sizes.
|
||||||
|
|
||||||
|
** Rules for the API
|
||||||
|
|
||||||
|
- =stdint= should be used for integers (=int32_t=, =int64_t=)
|
||||||
|
- integers used for counting should always be =int64_t=
|
||||||
|
- floats should be by default =double=, unless explicitly mentioned
|
||||||
|
- pointers are converted to =int64_t= to increase portability
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
|
||||||
File diff suppressed because it is too large
Load Diff
|
|
@ -1,10 +1,7 @@
|
||||||
#+TITLE: Error handling
|
#+TITLE: Error handling
|
||||||
#+SETUPFILE: ../docs/theme.setup
|
#+SETUPFILE: ../docs/theme.setup
|
||||||
|
|
||||||
This file is written in C because it is more natural to express the
|
* Headers :noexport:
|
||||||
error handling in C than in Fortran.
|
|
||||||
|
|
||||||
** Headers :noexport:
|
|
||||||
|
|
||||||
#+NAME: filename
|
#+NAME: filename
|
||||||
#+begin_src elisp tangle: no
|
#+begin_src elisp tangle: no
|
||||||
|
|
@ -22,7 +19,10 @@
|
||||||
MunitResult test_<<filename()>>() {
|
MunitResult test_<<filename()>>() {
|
||||||
#+end_src
|
#+end_src
|
||||||
|
|
||||||
** Error handling
|
*
|
||||||
|
:PROPERTIES:
|
||||||
|
:UNNUMBERED: t
|
||||||
|
:END:
|
||||||
|
|
||||||
The library should never make the calling programs abort, nor
|
The library should never make the calling programs abort, nor
|
||||||
perform any input/output operations. This decision has to be taken
|
perform any input/output operations. This decision has to be taken
|
||||||
|
|
@ -35,8 +35,8 @@ typedef int32_t qmckl_exit_code;
|
||||||
#+end_src
|
#+end_src
|
||||||
|
|
||||||
The exit code returns the completion status of the function to the
|
The exit code returns the completion status of the function to the
|
||||||
calling program. When a function call completed successfully, the
|
calling program. When a function call completed successfully,
|
||||||
~QMCKL_SUCCESS~ exit code is returned. If one of the functions of
|
~QMCKL_SUCCESS~ is returned. If one of the functions of
|
||||||
the library fails to complete the requested task, an appropriate
|
the library fails to complete the requested task, an appropriate
|
||||||
error code is returned to the program.
|
error code is returned to the program.
|
||||||
|
|
||||||
|
|
@ -54,19 +54,21 @@ typedef int32_t qmckl_exit_code;
|
||||||
| ~QMCKL_INVALID_ARG_8~ | 8 |
|
| ~QMCKL_INVALID_ARG_8~ | 8 |
|
||||||
| ~QMCKL_INVALID_ARG_9~ | 9 |
|
| ~QMCKL_INVALID_ARG_9~ | 9 |
|
||||||
| ~QMCKL_INVALID_ARG_10~ | 10 |
|
| ~QMCKL_INVALID_ARG_10~ | 10 |
|
||||||
| ~QMCKL_NULL_CONTEXT~ | 101 |
|
| ~QMCKL_FAILURE~ | 101 |
|
||||||
| ~QMCKL_FAILURE~ | 102 |
|
| ~QMCKL_ERRNO~ | 102 |
|
||||||
| ~QMCKL_ERRNO~ | 103 |
|
| ~QMCKL_INVALID_CONTEXT~ | 103 |
|
||||||
| ~QMCKL_INVALID_EXIT_CODE~ | 104 |
|
| ~QMCKL_ALLOCATION_FAILED~ | 104 |
|
||||||
|
| ~QMCKL_INVALID_EXIT_CODE~ | 105 |
|
||||||
|
|
||||||
# We need to force Emacs not to indent the Python code:
|
# We need to force Emacs not to indent the Python code:
|
||||||
# -*- org-src-preserve-indentation: t
|
# -*- org-src-preserve-indentation: t
|
||||||
#+begin_src python :var table=table-exit-codes :results drawer :exports result
|
|
||||||
|
#+begin_src python :var table=table-exit-codes :results drawer :exports none
|
||||||
""" This script generates the C and Fortran constants for the error
|
""" This script generates the C and Fortran constants for the error
|
||||||
codes from the org-mode table.
|
codes from the org-mode table.
|
||||||
"""
|
"""
|
||||||
|
|
||||||
result = [ "#+begin_src c :comments org :tangle (eval h)" ]
|
result = [ "#+begin_src c :comments org :tangle (eval h) :exports none" ]
|
||||||
for (text, code) in table:
|
for (text, code) in table:
|
||||||
text=text.replace("~","")
|
text=text.replace("~","")
|
||||||
result += [ f"#define {text:30s} {code:d}" ]
|
result += [ f"#define {text:30s} {code:d}" ]
|
||||||
|
|
@ -74,7 +76,7 @@ result += [ "#+end_src" ]
|
||||||
|
|
||||||
result += [ "" ]
|
result += [ "" ]
|
||||||
|
|
||||||
result += [ "#+begin_src f90 :comments org :tangle (eval fh)" ]
|
result += [ "#+begin_src f90 :comments org :tangle (eval fh) :exports none" ]
|
||||||
for (text, code) in table:
|
for (text, code) in table:
|
||||||
text=text.replace("~","")
|
text=text.replace("~","")
|
||||||
result += [ f" integer, parameter :: {text:30s} = {code:d}" ]
|
result += [ f" integer, parameter :: {text:30s} = {code:d}" ]
|
||||||
|
|
@ -86,7 +88,7 @@ return '\n'.join(result)
|
||||||
|
|
||||||
#+RESULTS:
|
#+RESULTS:
|
||||||
:results:
|
:results:
|
||||||
#+begin_src c :comments org :tangle (eval h)
|
#+begin_src c :comments org :tangle (eval h) :exports none
|
||||||
#define QMCKL_SUCCESS 0
|
#define QMCKL_SUCCESS 0
|
||||||
#define QMCKL_INVALID_ARG_1 1
|
#define QMCKL_INVALID_ARG_1 1
|
||||||
#define QMCKL_INVALID_ARG_2 2
|
#define QMCKL_INVALID_ARG_2 2
|
||||||
|
|
@ -98,13 +100,14 @@ return '\n'.join(result)
|
||||||
#define QMCKL_INVALID_ARG_8 8
|
#define QMCKL_INVALID_ARG_8 8
|
||||||
#define QMCKL_INVALID_ARG_9 9
|
#define QMCKL_INVALID_ARG_9 9
|
||||||
#define QMCKL_INVALID_ARG_10 10
|
#define QMCKL_INVALID_ARG_10 10
|
||||||
#define QMCKL_NULL_CONTEXT 101
|
#define QMCKL_FAILURE 101
|
||||||
#define QMCKL_FAILURE 102
|
#define QMCKL_ERRNO 102
|
||||||
#define QMCKL_ERRNO 103
|
#define QMCKL_INVALID_CONTEXT 103
|
||||||
#define QMCKL_INVALID_EXIT_CODE 104
|
#define QMCKL_ALLOCATION_FAILED 104
|
||||||
|
#define QMCKL_INVALID_EXIT_CODE 105
|
||||||
#+end_src
|
#+end_src
|
||||||
|
|
||||||
#+begin_src f90 :comments org :tangle (eval fh)
|
#+begin_src f90 :comments org :tangle (eval fh) :exports none
|
||||||
integer, parameter :: QMCKL_SUCCESS = 0
|
integer, parameter :: QMCKL_SUCCESS = 0
|
||||||
integer, parameter :: QMCKL_INVALID_ARG_1 = 1
|
integer, parameter :: QMCKL_INVALID_ARG_1 = 1
|
||||||
integer, parameter :: QMCKL_INVALID_ARG_2 = 2
|
integer, parameter :: QMCKL_INVALID_ARG_2 = 2
|
||||||
|
|
@ -116,17 +119,17 @@ return '\n'.join(result)
|
||||||
integer, parameter :: QMCKL_INVALID_ARG_8 = 8
|
integer, parameter :: QMCKL_INVALID_ARG_8 = 8
|
||||||
integer, parameter :: QMCKL_INVALID_ARG_9 = 9
|
integer, parameter :: QMCKL_INVALID_ARG_9 = 9
|
||||||
integer, parameter :: QMCKL_INVALID_ARG_10 = 10
|
integer, parameter :: QMCKL_INVALID_ARG_10 = 10
|
||||||
integer, parameter :: QMCKL_NULL_CONTEXT = 101
|
integer, parameter :: QMCKL_FAILURE = 101
|
||||||
integer, parameter :: QMCKL_FAILURE = 102
|
integer, parameter :: QMCKL_ERRNO = 102
|
||||||
integer, parameter :: QMCKL_ERRNO = 103
|
integer, parameter :: QMCKL_INVALID_CONTEXT = 103
|
||||||
integer, parameter :: QMCKL_INVALID_EXIT_CODE = 104
|
integer, parameter :: QMCKL_ALLOCATION_FAILED = 104
|
||||||
|
integer, parameter :: QMCKL_INVALID_EXIT_CODE = 105
|
||||||
#+end_src
|
#+end_src
|
||||||
:end:
|
:end:
|
||||||
|
|
||||||
|
* End of files :noexport:
|
||||||
|
|
||||||
** End of files :noexport:
|
** Test
|
||||||
|
|
||||||
*** Test
|
|
||||||
#+begin_src c :comments link :tangle (eval c_test)
|
#+begin_src c :comments link :tangle (eval c_test)
|
||||||
return MUNIT_OK;
|
return MUNIT_OK;
|
||||||
}
|
}
|
||||||
|
|
|
||||||
|
|
@ -1,8 +0,0 @@
|
||||||
* Acknowledgments
|
|
||||||
|
|
||||||
[[https://trex-coe.eu/sites/default/files/inline-images/euflag.jpg]]
|
|
||||||
[[https://trex-coe.eu][TREX: Targeting Real Chemical Accuracy at the Exascale]] project has received funding from the European Union’s Horizon 2020 - Research and Innovation program - under grant agreement no. 952165. The content of this document does not represent the opinion of the European Union, and the European Union is not responsible for any use that might be made of such content.
|
|
||||||
|
|
||||||
|
|
||||||
# -*- mode: org -*-
|
|
||||||
|
|
||||||
|
|
@ -15,8 +15,11 @@ optimized libraries to fine-tune the memory allocation.
|
||||||
#+begin_src c :tangle (eval c)
|
#+begin_src c :tangle (eval c)
|
||||||
#include <stdint.h>
|
#include <stdint.h>
|
||||||
#include <stdlib.h>
|
#include <stdlib.h>
|
||||||
|
#include <assert.h>
|
||||||
|
|
||||||
#include "qmckl_error.h"
|
#include "qmckl_error.h"
|
||||||
#include "qmckl_context.h"
|
#include "qmckl_context.h"
|
||||||
|
#include "qmckl_context_private.h"
|
||||||
#include "qmckl_memory.h"
|
#include "qmckl_memory.h"
|
||||||
#+end_src
|
#+end_src
|
||||||
|
|
||||||
|
|
@ -26,20 +29,39 @@ optimized libraries to fine-tune the memory allocation.
|
||||||
MunitResult test_<<filename()>>() {
|
MunitResult test_<<filename()>>() {
|
||||||
#+end_src
|
#+end_src
|
||||||
|
|
||||||
* ~qmckl_malloc~
|
*
|
||||||
|
Memory allocation inside the library should be done with
|
||||||
|
~qmckl_malloc~. It lets the library choose how the memory will be
|
||||||
|
allocated, and a pointer is returned to the user. The context is
|
||||||
|
passed to let the library store data related to the allocation
|
||||||
|
inside the context. In this particular implementation of the library,
|
||||||
|
we store a list of allocated pointers so that all the memory can be
|
||||||
|
properly freed when the library is de-initialized.
|
||||||
|
If the allocation failed, the ~NULL~ pointer is returned.
|
||||||
|
|
||||||
Memory allocation function, letting the library choose how the
|
# Header
|
||||||
memory will be allocated, and a pointer is returned to the user.
|
#+begin_src c :tangle (eval h) :noexport
|
||||||
The context is passed to let the library store data related to the
|
void* qmckl_malloc(qmckl_context context,
|
||||||
allocation inside the context. If the allocation failed, the ~NULL~
|
|
||||||
pointer is returned.
|
|
||||||
|
|
||||||
#+begin_src c :tangle (eval h)
|
|
||||||
void* qmckl_malloc(qmckl_context ctx,
|
|
||||||
const size_t size);
|
const size_t size);
|
||||||
#+end_src
|
#+end_src
|
||||||
|
|
||||||
#+begin_src f90 :tangle (eval fh)
|
# Source
|
||||||
|
#+begin_src c :tangle (eval c)
|
||||||
|
void* qmckl_malloc(qmckl_context context, const size_t size) {
|
||||||
|
|
||||||
|
void * pointer = malloc( (size_t) size );
|
||||||
|
|
||||||
|
if (qmckl_context_check(context) != QMCKL_NULL_CONTEXT) {
|
||||||
|
qmckl_exit_code rc;
|
||||||
|
rc = qmckl_context_append_memory(context, pointer, size);
|
||||||
|
assert (rc == QMCKL_SUCCESS);
|
||||||
|
}
|
||||||
|
|
||||||
|
return pointer;
|
||||||
|
}
|
||||||
|
#+end_src
|
||||||
|
# Fortran interface
|
||||||
|
#+begin_src f90 :tangle (eval fh) :noexport
|
||||||
interface
|
interface
|
||||||
type (c_ptr) function qmckl_malloc (context, size) bind(C)
|
type (c_ptr) function qmckl_malloc (context, size) bind(C)
|
||||||
use, intrinsic :: iso_c_binding
|
use, intrinsic :: iso_c_binding
|
||||||
|
|
@ -49,24 +71,11 @@ void* qmckl_malloc(qmckl_context ctx,
|
||||||
end interface
|
end interface
|
||||||
#+end_src
|
#+end_src
|
||||||
|
|
||||||
** Source
|
|
||||||
|
|
||||||
#+begin_src c :tangle (eval c)
|
|
||||||
void* qmckl_malloc(qmckl_context ctx, const size_t size) {
|
|
||||||
|
|
||||||
if (ctx == (qmckl_context) 0) {}; /* Avoid unused argument warning */
|
|
||||||
void * result = malloc( (size_t) size );
|
|
||||||
return result;
|
|
||||||
|
|
||||||
}
|
|
||||||
|
|
||||||
#+end_src
|
|
||||||
|
|
||||||
** Test :noexport:
|
** Test :noexport:
|
||||||
#+begin_src c :tangle (eval c_test)
|
#+begin_src c :tangle (eval c_test)
|
||||||
int *a = NULL;
|
int *a = NULL;
|
||||||
munit_assert(a == NULL);
|
munit_assert(a == NULL);
|
||||||
a = (int*) qmckl_malloc( (qmckl_context) 1, 3*sizeof(int));
|
a = (int*) qmckl_malloc( QMCKL_NULL_CONTEXT, 3*sizeof(int));
|
||||||
munit_assert(a != NULL);
|
munit_assert(a != NULL);
|
||||||
a[0] = 1;
|
a[0] = 1;
|
||||||
a[1] = 2;
|
a[1] = 2;
|
||||||
|
|
@ -99,12 +108,22 @@ qmckl_exit_code qmckl_free(qmckl_context context,
|
||||||
** Source
|
** Source
|
||||||
#+begin_src c :tangle (eval c)
|
#+begin_src c :tangle (eval c)
|
||||||
qmckl_exit_code qmckl_free(qmckl_context context, void *ptr) {
|
qmckl_exit_code qmckl_free(qmckl_context context, void *ptr) {
|
||||||
|
if (qmckl_context_check(context) != QMCKL_NULL_CONTEXT) {
|
||||||
|
|
||||||
if (context == 0) return QMCKL_INVALID_ARG_1;
|
if (ptr == NULL) {
|
||||||
if (ptr == NULL) return QMCKL_INVALID_ARG_2;
|
return qmckl_failwith(context,
|
||||||
|
QMCKL_INVALID_ARG_2,
|
||||||
|
"qmckl_free",
|
||||||
|
"NULL pointer");
|
||||||
|
}
|
||||||
|
|
||||||
|
qmckl_exit_code rc;
|
||||||
|
rc = qmckl_context_remove_memory(context, ptr);
|
||||||
|
|
||||||
|
assert (rc == QMCKL_SUCCESS);
|
||||||
|
}
|
||||||
free(ptr);
|
free(ptr);
|
||||||
return QMCKL_SUCCESS;
|
return QMCKL_SUCCESS;
|
||||||
|
|
||||||
}
|
}
|
||||||
#+end_src
|
#+end_src
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -1,58 +0,0 @@
|
||||||
#+TITLE: Multi-precision
|
|
||||||
#+SETUPFILE: ../docs/theme.setup
|
|
||||||
|
|
||||||
#+NAME: filename
|
|
||||||
#+begin_src elisp tangle: no
|
|
||||||
(file-name-nondirectory (substring buffer-file-name 0 -4))
|
|
||||||
#+end_src
|
|
||||||
|
|
||||||
Controlling numerical precision enables optimizations. Here, the
|
|
||||||
default parameters determining the target numerical precision and
|
|
||||||
range are defined.
|
|
||||||
|
|
||||||
#+NAME: table-precision
|
|
||||||
| ~QMCKL_DEFAULT_PRECISION~ | 53 |
|
|
||||||
| ~QMCKL_DEFAULT_RANGE~ | 11 |
|
|
||||||
|
|
||||||
# We need to force Emacs not to indent the Python code:
|
|
||||||
# -*- org-src-preserve-indentation: t
|
|
||||||
|
|
||||||
#+begin_src python :var table=table-precision :results drawer :exports result
|
|
||||||
""" This script generates the C and Fortran constants for the error
|
|
||||||
codes from the org-mode table.
|
|
||||||
"""
|
|
||||||
|
|
||||||
result = [ "#+begin_src c :comments org :tangle (eval h)" ]
|
|
||||||
for (text, code) in table:
|
|
||||||
text=text.replace("~","")
|
|
||||||
result += [ f"#define {text:30s} {code:d}" ]
|
|
||||||
result += [ "#+end_src" ]
|
|
||||||
|
|
||||||
result += [ "" ]
|
|
||||||
|
|
||||||
result += [ "#+begin_src f90 :comments org :tangle (eval fh)" ]
|
|
||||||
for (text, code) in table:
|
|
||||||
text=text.replace("~","")
|
|
||||||
result += [ f" integer, parameter :: {text:30s} = {code:d}" ]
|
|
||||||
result += [ "#+end_src" ]
|
|
||||||
|
|
||||||
return '\n'.join(result)
|
|
||||||
|
|
||||||
#+end_src
|
|
||||||
|
|
||||||
#+RESULTS:
|
|
||||||
:results:
|
|
||||||
#+begin_src c :comments org :tangle (eval h)
|
|
||||||
#define QMCKL_DEFAULT_PRECISION 53
|
|
||||||
#define QMCKL_DEFAULT_RANGE 11
|
|
||||||
#+end_src
|
|
||||||
|
|
||||||
#+begin_src f90 :comments org :tangle (eval fh)
|
|
||||||
integer, parameter :: QMCKL_DEFAULT_PRECISION = 53
|
|
||||||
integer, parameter :: QMCKL_DEFAULT_RANGE = 11
|
|
||||||
#+end_src
|
|
||||||
:end:
|
|
||||||
|
|
||||||
|
|
||||||
# -*- mode: org -*-
|
|
||||||
# vim: syntax=c
|
|
||||||
|
|
@ -1,9 +1,7 @@
|
||||||
qmckl.org
|
qmckl.org
|
||||||
qmckl_error.org
|
qmckl_error.org
|
||||||
qmckl_context.org
|
qmckl_context.org
|
||||||
qmckl_precision.org
|
|
||||||
qmckl_memory.org
|
qmckl_memory.org
|
||||||
qmckl_distance.org
|
qmckl_distance.org
|
||||||
qmckl_ao.org
|
qmckl_ao.org
|
||||||
test_qmckl.org
|
test_qmckl.org
|
||||||
qmckl_footer.org
|
|
||||||
|
|
|
||||||
|
|
@ -69,6 +69,11 @@ OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
|
||||||
#+begin_src makefile
|
#+begin_src makefile
|
||||||
# <<header()>>
|
# <<header()>>
|
||||||
#+end_src
|
#+end_src
|
||||||
|
** Dependencies
|
||||||
|
|
||||||
|
#+begin_src makefile
|
||||||
|
LIBS=-lpthread
|
||||||
|
#+end_src
|
||||||
|
|
||||||
** Variables
|
** Variables
|
||||||
|
|
||||||
|
|
@ -108,7 +113,7 @@ FFLAGS=-fPIC $(INCLUDE) \
|
||||||
-Wreal-q-constant -Wuninitialized -fbacktrace -finit-real=nan \
|
-Wreal-q-constant -Wuninitialized -fbacktrace -finit-real=nan \
|
||||||
-ffpe-trap=zero,overflow,underflow
|
-ffpe-trap=zero,overflow,underflow
|
||||||
|
|
||||||
LIBS=-lgfortran -lm
|
LIBS+=-lgfortran -lm
|
||||||
#----------------------------------------------------------
|
#----------------------------------------------------------
|
||||||
endif
|
endif
|
||||||
#+end_src
|
#+end_src
|
||||||
|
|
@ -124,7 +129,7 @@ CFLAGS=-fPIC -g -O2 $(INCLUDE)
|
||||||
FC=ifort -xHost
|
FC=ifort -xHost
|
||||||
FFLAGS=-fPIC -g -O2 $(INCLUDE)
|
FFLAGS=-fPIC -g -O2 $(INCLUDE)
|
||||||
|
|
||||||
LIBS=-lm -lifcore -lirc
|
LIBS+=-lm -lifcore -lirc
|
||||||
#----------------------------------------------------------
|
#----------------------------------------------------------
|
||||||
CC=icc -xHost
|
CC=icc -xHost
|
||||||
endif
|
endif
|
||||||
|
|
@ -141,7 +146,7 @@ CFLAGS=-fPIC -g -O2 $(INCLUDE)
|
||||||
FC=flang
|
FC=flang
|
||||||
FFLAGS=fPIC -g -O2 $(INCLUDE)
|
FFLAGS=fPIC -g -O2 $(INCLUDE)
|
||||||
|
|
||||||
LIBS=-lm
|
LIBS+=-lm
|
||||||
#----------------------------------------------------------
|
#----------------------------------------------------------
|
||||||
endif
|
endif
|
||||||
#+end_src
|
#+end_src
|
||||||
|
|
@ -157,14 +162,17 @@ endif
|
||||||
libqmckl.so: Makefile.generated
|
libqmckl.so: Makefile.generated
|
||||||
$(MAKE) -f Makefile.generated
|
$(MAKE) -f Makefile.generated
|
||||||
|
|
||||||
test: Makefile.generated
|
../include/qmckl.h: libqmckl.so
|
||||||
|
../tools/build_qmckl_h.sh
|
||||||
|
|
||||||
|
test: Makefile.generated ../include/qmckl.h
|
||||||
$(MAKE) -f Makefile.generated test
|
$(MAKE) -f Makefile.generated test
|
||||||
|
|
||||||
doc: $(ORG_SOURCE_FILES)
|
doc: $(ORG_SOURCE_FILES)
|
||||||
$(QMCKL_ROOT)/tools/create_doc.sh
|
$(QMCKL_ROOT)/tools/create_doc.sh
|
||||||
|
|
||||||
clean:
|
clean:
|
||||||
$(RM) qmckl.h test_qmckl_* test_qmckl.c test_qmckl \
|
$(RM) test_qmckl_* test_qmckl.c test_qmckl \
|
||||||
qmckl_*.f90 qmckl_*.c qmckl_*.o qmckl_*.h \
|
qmckl_*.f90 qmckl_*.c qmckl_*.o qmckl_*.h \
|
||||||
Makefile.generated libqmckl.so *.html *.mod
|
Makefile.generated libqmckl.so *.html *.mod
|
||||||
|
|
||||||
|
|
|
||||||
57
tools/build_doc.sh
Executable file
57
tools/build_doc.sh
Executable file
|
|
@ -0,0 +1,57 @@
|
||||||
|
#!/bin/bash
|
||||||
|
|
||||||
|
if [[ -z $QMCKL_ROOT ]]
|
||||||
|
then
|
||||||
|
print "QMCKL_ROOT is not defined"
|
||||||
|
exit 1
|
||||||
|
fi
|
||||||
|
|
||||||
|
|
||||||
|
# Install htmlize if needed
|
||||||
|
[[ -f ${QMCKL_ROOT}/docs/htmlize.el ]] || (
|
||||||
|
cd ${QMCKL_ROOT}/docs/
|
||||||
|
git clone https://github.com/hniksic/emacs-htmlize
|
||||||
|
cp emacs-htmlize/htmlize.el .
|
||||||
|
rm -rf emacs-htmlize
|
||||||
|
cd -
|
||||||
|
)
|
||||||
|
|
||||||
|
[[ -f ${QMCKL_ROOT}/docs/htmlize.el ]] || exit 1
|
||||||
|
|
||||||
|
|
||||||
|
# Create documentation
|
||||||
|
cd ${QMCKL_ROOT}/src
|
||||||
|
|
||||||
|
function extract_doc()
|
||||||
|
{
|
||||||
|
HTML=${1%.org}.html
|
||||||
|
if [[ -f ${QMCKL_ROOT}/docs/$HTML && $1 -ot ${QMCKL_ROOT}/docs/$HTML ]]
|
||||||
|
then return
|
||||||
|
fi
|
||||||
|
emacs --batch \
|
||||||
|
--load ${QMCKL_ROOT}/docs/htmlize.el \
|
||||||
|
--load ${QMCKL_ROOT}/tools/config_doc.el \
|
||||||
|
$i \
|
||||||
|
--load ${QMCKL_ROOT}/tools/config_tangle.el \
|
||||||
|
-f org-html-export-to-html || break
|
||||||
|
mv $HTML ${QMCKL_ROOT}/docs
|
||||||
|
}
|
||||||
|
|
||||||
|
for i in *.org
|
||||||
|
do
|
||||||
|
echo
|
||||||
|
echo "======= $i ======="
|
||||||
|
extract_doc $i
|
||||||
|
done
|
||||||
|
|
||||||
|
if [[ $? -eq 0 ]]
|
||||||
|
then
|
||||||
|
cd ${QMCKL_ROOT}/docs
|
||||||
|
rm -f index.html
|
||||||
|
ln README.html index.html
|
||||||
|
exit 0
|
||||||
|
else
|
||||||
|
exit 2
|
||||||
|
fi
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -1,13 +1,11 @@
|
||||||
#!/bin/bash
|
#!/bin/bash
|
||||||
# Script to build the final qmckl.h file
|
# Script to build the final qmckl.h file
|
||||||
# :PROPERTIES:
|
# :PROPERTIES:
|
||||||
# :header-args:bash: :tangle build_qmckl_h.sh :noweb yes :shebang #!/bin/bash :comments both
|
# :header-args:bash: :tangle build_qmckl_h.sh :noweb yes :shebang #!/bin/bash :comments org
|
||||||
# :END:
|
# :END:
|
||||||
|
|
||||||
|
|
||||||
# [[file:Building.org::*Script to build the final qmckl.h file][Script to build the final qmckl.h file:1]]
|
|
||||||
# This file was created by tools/Building.org
|
# This file was created by tools/Building.org
|
||||||
# Script to build the final qmckl.h file:1 ends here
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -18,20 +16,17 @@
|
||||||
# Put =.h= files in the correct order:
|
# Put =.h= files in the correct order:
|
||||||
|
|
||||||
|
|
||||||
# [[file:Building.org::*Script to build the final qmckl.h file][Script to build the final qmckl.h file:3]]
|
|
||||||
HEADERS=""
|
HEADERS=""
|
||||||
for i in $(cat table_of_contents)
|
for i in $(cat table_of_contents)
|
||||||
do
|
do
|
||||||
HEADERS+="${i%.org}.h "
|
HEADERS+="${i%.org}.h "
|
||||||
done
|
done
|
||||||
# Script to build the final qmckl.h file:3 ends here
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
# Generate C header file
|
# Generate C header file
|
||||||
|
|
||||||
|
|
||||||
# [[file:Building.org::*Script to build the final qmckl.h file][Script to build the final qmckl.h file:4]]
|
|
||||||
OUTPUT="../include/qmckl.h"
|
OUTPUT="../include/qmckl.h"
|
||||||
|
|
||||||
cat << EOF > ${OUTPUT}
|
cat << EOF > ${OUTPUT}
|
||||||
|
|
@ -95,14 +90,12 @@ done
|
||||||
cat << EOF >> ${OUTPUT}
|
cat << EOF >> ${OUTPUT}
|
||||||
#endif
|
#endif
|
||||||
EOF
|
EOF
|
||||||
# Script to build the final qmckl.h file:4 ends here
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
# Generate Fortran interface file from all =qmckl_*_fh.f90= files
|
# Generate Fortran interface file from all =qmckl_*_fh.f90= files
|
||||||
|
|
||||||
|
|
||||||
# [[file:Building.org::*Script to build the final qmckl.h file][Script to build the final qmckl.h file:5]]
|
|
||||||
HEADERS="qmckl_*_fh.f90"
|
HEADERS="qmckl_*_fh.f90"
|
||||||
|
|
||||||
OUTPUT="../include/qmckl_f.f90"
|
OUTPUT="../include/qmckl_f.f90"
|
||||||
|
|
@ -161,4 +154,3 @@ done
|
||||||
cat << EOF >> ${OUTPUT}
|
cat << EOF >> ${OUTPUT}
|
||||||
end module qmckl
|
end module qmckl
|
||||||
EOF
|
EOF
|
||||||
# Script to build the final qmckl.h file:5 ends here
|
|
||||||
|
|
|
||||||
85
tools/config_doc.el
Executable file
85
tools/config_doc.el
Executable file
|
|
@ -0,0 +1,85 @@
|
||||||
|
;; Thanks to Tobias's answer on Emacs Stack Exchange:
|
||||||
|
;; https://emacs.stackexchange.com/questions/38437/org-mode-batch-export-missing-syntax-highlighting
|
||||||
|
|
||||||
|
|
||||||
|
(package-initialize)
|
||||||
|
|
||||||
|
(require 'htmlize)
|
||||||
|
(require 'font-lock)
|
||||||
|
(setq org-confirm-babel-evaluate nil)
|
||||||
|
(global-font-lock-mode t)
|
||||||
|
(setq org-src-fontify-natively t)
|
||||||
|
|
||||||
|
;(require 'ox-latex)
|
||||||
|
;(setq org-latex-listings t)
|
||||||
|
;(add-to-list 'org-latex-packages-alist '("" "listings"))
|
||||||
|
;(add-to-list 'org-latex-packages-alist '("" "color"))
|
||||||
|
|
||||||
|
|
||||||
|
(require 'subr-x) ;; for `when-let'
|
||||||
|
(unless (boundp 'maximal-integer)
|
||||||
|
(defconst maximal-integer (lsh -1 -1)
|
||||||
|
"Maximal integer value representable natively in emacs lisp."))
|
||||||
|
|
||||||
|
(defun face-spec-default (spec)
|
||||||
|
"Get list containing at most the default entry of face SPEC.
|
||||||
|
Return nil if SPEC has no default entry."
|
||||||
|
(let* ((first (car-safe spec))
|
||||||
|
(display (car-safe first)))
|
||||||
|
(when (eq display 'default)
|
||||||
|
(list (car-safe spec)))))
|
||||||
|
|
||||||
|
(defun face-spec-min-color (display-atts)
|
||||||
|
"Get min-color entry of DISPLAY-ATTS pair from face spec."
|
||||||
|
(let* ((display (car-safe display-atts)))
|
||||||
|
(or (car-safe (cdr (assoc 'min-colors display)))
|
||||||
|
maximal-integer)))
|
||||||
|
|
||||||
|
(defun face-spec-highest-color (spec)
|
||||||
|
"Search face SPEC for highest color.
|
||||||
|
That means the DISPLAY entry of SPEC
|
||||||
|
with class 'color and highest min-color value."
|
||||||
|
(let ((color-list (cl-remove-if-not
|
||||||
|
(lambda (display-atts)
|
||||||
|
(when-let ((display (car-safe display-atts))
|
||||||
|
(class (and (listp display)
|
||||||
|
(assoc 'class display)))
|
||||||
|
(background (assoc 'background display)))
|
||||||
|
(and (member 'light (cdr background))
|
||||||
|
(member 'color (cdr class)))))
|
||||||
|
spec)))
|
||||||
|
(cl-reduce (lambda (display-atts1 display-atts2)
|
||||||
|
(if (> (face-spec-min-color display-atts1)
|
||||||
|
(face-spec-min-color display-atts2))
|
||||||
|
display-atts1
|
||||||
|
display-atts2))
|
||||||
|
(cdr color-list)
|
||||||
|
:initial-value (car color-list))))
|
||||||
|
|
||||||
|
(defun face-spec-t (spec)
|
||||||
|
"Search face SPEC for fall back."
|
||||||
|
(cl-find-if (lambda (display-atts)
|
||||||
|
(eq (car-safe display-atts) t))
|
||||||
|
spec))
|
||||||
|
|
||||||
|
(defun my-face-attribute (face attribute &optional frame inherit)
|
||||||
|
"Get FACE ATTRIBUTE from `face-user-default-spec' and not from `face-attribute'."
|
||||||
|
(let* ((face-spec (face-user-default-spec face))
|
||||||
|
(display-attr (or (face-spec-highest-color face-spec)
|
||||||
|
(face-spec-t face-spec)))
|
||||||
|
(attr (cdr display-attr))
|
||||||
|
(val (or (plist-get attr attribute) (car-safe (cdr (assoc attribute attr))))))
|
||||||
|
;; (message "attribute: %S" attribute) ;; for debugging
|
||||||
|
(when (and (null (eq attribute :inherit))
|
||||||
|
(null val))
|
||||||
|
(let ((inherited-face (my-face-attribute face :inherit)))
|
||||||
|
(when (and inherited-face
|
||||||
|
(null (eq inherited-face 'unspecified)))
|
||||||
|
(setq val (my-face-attribute inherited-face attribute)))))
|
||||||
|
;;(message "face: %S attribute: %S display-attr: %S, val: %S" face attribute display-attr val) ;; for debugging
|
||||||
|
(or val 'unspecified)))
|
||||||
|
|
||||||
|
(advice-add 'face-attribute :override #'my-face-attribute)
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -1,6 +1,7 @@
|
||||||
;; Thanks to Tobias's answer on Emacs Stack Exchange:
|
;; Thanks to Tobias's answer on Emacs Stack Exchange:
|
||||||
;; https://emacs.stackexchange.com/questions/38437/org-mode-batch-export-missing-syntax-highlighting
|
;; https://emacs.stackexchange.com/questions/38437/org-mode-batch-export-missing-syntax-highlighting
|
||||||
|
|
||||||
|
|
||||||
(package-initialize)
|
(package-initialize)
|
||||||
(add-to-list 'package-archives
|
(add-to-list 'package-archives
|
||||||
'("gnu" . "https://elpa.gnu.org/packages/"))
|
'("gnu" . "https://elpa.gnu.org/packages/"))
|
||||||
|
|
@ -15,9 +16,9 @@
|
||||||
|
|
||||||
(require 'htmlize)
|
(require 'htmlize)
|
||||||
(require 'font-lock)
|
(require 'font-lock)
|
||||||
(require 'subr-x) ;; for `when-let'
|
|
||||||
(setq org-confirm-babel-evaluate nil)
|
(setq org-confirm-babel-evaluate nil)
|
||||||
(global-font-lock-mode t)
|
(global-font-lock-mode t)
|
||||||
|
(setq org-src-fontify-natively t)
|
||||||
|
|
||||||
(org-babel-do-load-languages
|
(org-babel-do-load-languages
|
||||||
'org-babel-load-languages
|
'org-babel-load-languages
|
||||||
|
|
@ -25,80 +26,14 @@
|
||||||
(emacs-lisp . t)
|
(emacs-lisp . t)
|
||||||
(shell . t)
|
(shell . t)
|
||||||
(python . t)
|
(python . t)
|
||||||
|
(fortran . t)
|
||||||
(C . t)
|
(C . t)
|
||||||
(org . t)
|
(org . t)
|
||||||
(makefile . t)
|
(makefile . t)
|
||||||
))
|
))
|
||||||
|
|
||||||
|
|
||||||
|
; The following is required to compute the file names
|
||||||
|
|
||||||
(unless (boundp 'maximal-integer)
|
|
||||||
(defconst maximal-integer (lsh -1 -1)
|
|
||||||
"Maximal integer value representable natively in emacs lisp."))
|
|
||||||
|
|
||||||
(defun face-spec-default (spec)
|
|
||||||
"Get list containing at most the default entry of face SPEC.
|
|
||||||
Return nil if SPEC has no default entry."
|
|
||||||
(let* ((first (car-safe spec))
|
|
||||||
(display (car-safe first)))
|
|
||||||
(when (eq display 'default)
|
|
||||||
(list (car-safe spec)))))
|
|
||||||
|
|
||||||
(defun face-spec-min-color (display-atts)
|
|
||||||
"Get min-color entry of DISPLAY-ATTS pair from face spec."
|
|
||||||
(let* ((display (car-safe display-atts)))
|
|
||||||
(or (car-safe (cdr (assoc 'min-colors display)))
|
|
||||||
maximal-integer)))
|
|
||||||
|
|
||||||
(defun face-spec-highest-color (spec)
|
|
||||||
"Search face SPEC for highest color.
|
|
||||||
That means the DISPLAY entry of SPEC
|
|
||||||
with class 'color and highest min-color value."
|
|
||||||
(let ((color-list (cl-remove-if-not
|
|
||||||
(lambda (display-atts)
|
|
||||||
(when-let ((display (car-safe display-atts))
|
|
||||||
(class (and (listp display)
|
|
||||||
(assoc 'class display)))
|
|
||||||
(background (assoc 'background display)))
|
|
||||||
(and (member 'light (cdr background))
|
|
||||||
(member 'color (cdr class)))))
|
|
||||||
spec)))
|
|
||||||
(cl-reduce (lambda (display-atts1 display-atts2)
|
|
||||||
(if (> (face-spec-min-color display-atts1)
|
|
||||||
(face-spec-min-color display-atts2))
|
|
||||||
display-atts1
|
|
||||||
display-atts2))
|
|
||||||
(cdr color-list)
|
|
||||||
:initial-value (car color-list))))
|
|
||||||
|
|
||||||
(defun face-spec-t (spec)
|
|
||||||
"Search face SPEC for fall back."
|
|
||||||
(cl-find-if (lambda (display-atts)
|
|
||||||
(eq (car-safe display-atts) t))
|
|
||||||
spec))
|
|
||||||
|
|
||||||
(defun my-face-attribute (face attribute &optional frame inherit)
|
|
||||||
"Get FACE ATTRIBUTE from `face-user-default-spec' and not from `face-attribute'."
|
|
||||||
(let* ((face-spec (face-user-default-spec face))
|
|
||||||
(display-attr (or (face-spec-highest-color face-spec)
|
|
||||||
(face-spec-t face-spec)))
|
|
||||||
(attr (cdr display-attr))
|
|
||||||
(val (or (plist-get attr attribute) (car-safe (cdr (assoc attribute attr))))))
|
|
||||||
;; (message "attribute: %S" attribute) ;; for debugging
|
|
||||||
(when (and (null (eq attribute :inherit))
|
|
||||||
(null val))
|
|
||||||
(let ((inherited-face (my-face-attribute face :inherit)))
|
|
||||||
(when (and inherited-face
|
|
||||||
(null (eq inherited-face 'unspecified)))
|
|
||||||
(setq val (my-face-attribute inherited-face attribute)))))
|
|
||||||
;; (message "face: %S attribute: %S display-attr: %S, val: %S" face attribute display-attr val) ;; for debugging
|
|
||||||
(or val 'unspecified)))
|
|
||||||
|
|
||||||
(advice-add 'face-attribute :override #'my-face-attribute)
|
|
||||||
|
|
||||||
|
|
||||||
;; The following is required to compute the file names
|
|
||||||
(setq pwd (file-name-directory buffer-file-name))
|
(setq pwd (file-name-directory buffer-file-name))
|
||||||
(setq name (file-name-nondirectory (substring buffer-file-name 0 -4)))
|
(setq name (file-name-nondirectory (substring buffer-file-name 0 -4)))
|
||||||
(setq f (concat pwd name "_f.f90"))
|
(setq f (concat pwd name "_f.f90"))
|
||||||
|
|
@ -109,4 +44,3 @@ with class 'color and highest min-color value."
|
||||||
(setq c_test (concat pwd "test_" name ".c"))
|
(setq c_test (concat pwd "test_" name ".c"))
|
||||||
(setq f_test (concat pwd "test_" name "_f.f90"))
|
(setq f_test (concat pwd "test_" name "_f.f90"))
|
||||||
|
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -1,47 +0,0 @@
|
||||||
#!/bin/bash
|
|
||||||
|
|
||||||
set -x
|
|
||||||
|
|
||||||
INPUT=merged.org
|
|
||||||
if [[ -z $QMCKL_ROOT ]]
|
|
||||||
then
|
|
||||||
print "QMCKL_ROOT is not defined"
|
|
||||||
exit 1
|
|
||||||
fi
|
|
||||||
|
|
||||||
|
|
||||||
# Install htmlize if needed
|
|
||||||
[[ -f ${QMCKL_ROOT}/docs/htmlize.el ]] || (
|
|
||||||
cd ${QMCKL_ROOT}/docs/
|
|
||||||
git clone https://github.com/hniksic/emacs-htmlize
|
|
||||||
cp emacs-htmlize/htmlize.el .
|
|
||||||
rm -rf emacs-htmlize
|
|
||||||
cd -
|
|
||||||
)
|
|
||||||
|
|
||||||
[[ -f ${QMCKL_ROOT}/docs/htmlize.el ]] || exit 1
|
|
||||||
|
|
||||||
|
|
||||||
# Switch to TMPDIR for easy cleanup
|
|
||||||
TMPDIR=$(mktemp -d)
|
|
||||||
${QMCKL_ROOT}/tools/merge_org.sh $TMPDIR/$INPUT
|
|
||||||
cd $TMPDIR
|
|
||||||
|
|
||||||
|
|
||||||
# Create documentation
|
|
||||||
emacs --batch \
|
|
||||||
--load ${QMCKL_ROOT}/docs/htmlize.el \
|
|
||||||
--load ${QMCKL_ROOT}/docs/config.el \
|
|
||||||
$INPUT -f org-html-export-to-html
|
|
||||||
|
|
||||||
if [[ $? -eq 0 ]]
|
|
||||||
then
|
|
||||||
mv index.html ${QMCKL_ROOT}/docs/
|
|
||||||
rm -rf $TMPDIR
|
|
||||||
exit 0
|
|
||||||
else
|
|
||||||
rm -rf $TMPDIR
|
|
||||||
exit 2
|
|
||||||
fi
|
|
||||||
|
|
||||||
|
|
||||||
Loading…
Reference in New Issue
Block a user