mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-14 10:03:47 +01:00
49e9488f62
* fixed laplacian of aos * corrected the laplacians of aos * added dft_one_e * added new feature for new dft functionals * changed the configure to add new functionals * changed the configure * added dft_one_e/README.rst * added README.rst in new_functionals * added source/programmers_guide/new_ks.rst * Thesis Yann * Added gmp installation in configure * improved qp_e_conv_fci * Doc * Typos * Added variance_max * Fixed completion in qp_create * modif TODO * fixed DFT potential for n_states gt 1 * improved pot pbe * trying to improve sr PBE * fixed potential pbe * fixed the vxc smashed for pbe sr and normal * Comments in selection * bug fixed by peter * Fixed bug with zero beta electrons * Update README.rst * Update e_xc_new_func.irp.f * Update links.rst * Update quickstart.rst * Update quickstart.rst * updated cipsi * Fixed energies of non-expected s2 (#9) * Moved diag_algorithm in Davdison
181 lines
4.2 KiB
Groff
181 lines
4.2 KiB
Groff
.\" Man page generated from reStructuredText.
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.
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.TH "QP_PLUGINS" "1" "Feb 06, 2019" "2.0" "Quantum Package"
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.SH NAME
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qp_plugins \- | Quantum Package >
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.
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.nr rst2man-indent-level 0
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.
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.de1 rstReportMargin
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\\$1 \\n[an-margin]
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level \\n[rst2man-indent-level]
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level margin: \\n[rst2man-indent\\n[rst2man-indent-level]]
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-
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\\n[rst2man-indent0]
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\\n[rst2man-indent1]
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\\n[rst2man-indent2]
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..
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.de1 INDENT
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.\" .rstReportMargin pre:
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. RS \\$1
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. nr rst2man-indent\\n[rst2man-indent-level] \\n[an-margin]
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. nr rst2man-indent-level +1
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.\" .rstReportMargin post:
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..
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.de UNINDENT
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. RE
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.\" indent \\n[an-margin]
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.\" old: \\n[rst2man-indent\\n[rst2man-indent-level]]
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.nr rst2man-indent-level -1
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.\" new: \\n[rst2man-indent\\n[rst2man-indent-level]]
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.in \\n[rst2man-indent\\n[rst2man-indent-level]]u
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..
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.sp
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This command deals with all external plugins of \fIQuantum Package\fP\&. Plugin
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repositories can be downloaded, and the plugins in these repositories
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can be installed/uninstalled or created.
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.SH USAGE
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.INDENT 0.0
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.INDENT 3.5
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.sp
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.nf
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.ft C
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qp_plugins list [\-i] [\-u] [\-q]
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qp_plugins download <url>
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qp_plugins install <name>...
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qp_plugins uninstall <name>
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qp_plugins create \-n <name> [\-r <repo>] [<needed_modules>...]
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.ft P
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.fi
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.UNINDENT
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.UNINDENT
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.INDENT 0.0
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.TP
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.B list
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List all the available plugins.
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.UNINDENT
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.INDENT 0.0
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.TP
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.B \-i, \-\-installed
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List all the \fIinstalled\fP plugins.
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.UNINDENT
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.INDENT 0.0
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.TP
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.B \-u, \-\-uninstalled
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List all the \fIuninstalled\fP plugins.
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.UNINDENT
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.INDENT 0.0
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.TP
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.B \-q, \-\-repositories
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List all the downloaded repositories.
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.UNINDENT
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.INDENT 0.0
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.TP
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.B download <url>
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Download an external repository. The URL points to a tar.gz file or a
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git repository, for example:
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.INDENT 7.0
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.IP \(bu 2
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\fI\%http://example.com/site/example.tar.gz\fP
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.IP \(bu 2
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\fI\%git@gitlab.com\fP:user/example_repository
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.UNINDENT
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.UNINDENT
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.INDENT 0.0
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.TP
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.B install <plugin_name>
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Install the plugin \fBplugin_name\fP\&.
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.UNINDENT
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.INDENT 0.0
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.TP
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.B uninstall <plugin_name>
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Uninstall the plugin \fBplugin_name\fP\&.
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.UNINDENT
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.INDENT 0.0
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.TP
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.B \-n, \-\-name=<plugin_name>
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Create a new plugin named \fBplugin_name\fP (in local repository by default).
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.UNINDENT
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.INDENT 0.0
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.TP
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.B \-r, \-\-repository=<repo>
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Specify in which repository the new plugin will be created.
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.UNINDENT
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.SH EXAMPLE
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.sp
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Let us download, install and compile some specific external plugins from
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\fI\%https://gitlab.com/eginer/qp_plugins_eginer\fP .
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.sp
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First, download the git repo associated to these plugins. To do so,
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first go to the \fIplugins\fP directory in the \fIQuantum Package\fP and execute:
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.INDENT 0.0
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.INDENT 3.5
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.sp
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.nf
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.ft C
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qp_plugins download https://gitlab.com/eginer/qp_plugins_eginer
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.ft P
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.fi
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.UNINDENT
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.UNINDENT
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.sp
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This will create in the directory \fIplugins\fP a local copy of
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the git repo located at the URL you indicated. Then, go in
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\fIqp_plugins_eginer/stable/\fP
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.INDENT 0.0
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.INDENT 3.5
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.sp
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.nf
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.ft C
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cd qp_plugins_eginer/stable/
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.ft P
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.fi
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.UNINDENT
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.UNINDENT
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.sp
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In the directory \fIstable\fP, there are many directories which all
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correspond to a specific plugin that have been developed by the person
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in charge of the repository. All these plugins might use some global
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variables and routines contained in the core modules of the \fIQuantum Package\fP\&.
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.sp
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Now let us install the plugin \fIrsdft_cipsi\fP:
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.INDENT 0.0
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.INDENT 3.5
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.sp
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.nf
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.ft C
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qp_plugins install rsdft_cipsi
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.ft P
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.fi
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.UNINDENT
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.UNINDENT
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.sp
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This will link this directory to the \fIQuantum Package\fP which means that when the code
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will be compiled, this plugin will be compiled to and therefore all the
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executables/scripts/input keywords contained in this module will be
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available as if there were part of the core of the \fIQuantum Package\fP\&.
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.sp
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Then, to compile the new plugin, just recompile the \fIQuantum Package\fP as usual by
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going at the root of the \fIQuantum Package\fP directory:
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.INDENT 0.0
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.INDENT 3.5
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.sp
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.nf
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.ft C
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cd $QP_ROOT
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ninja
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.ft P
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.fi
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.UNINDENT
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.UNINDENT
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.sp
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Finally, if you go back to the plugin directory you just installed, you
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should see all the executables/scripts which have been created and which
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are now available with the \fIqp_run\fP command.
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.SH AUTHOR
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A. Scemama, E. Giner
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.SH COPYRIGHT
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2019, A. Scemama, E. Giner
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.\" Generated by docutils manpage writer.
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