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56f5d9d56d
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Error handling
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2021-03-05 03:45:30 +01:00 |
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6f2adf2921
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qmckl_memory
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2021-02-19 01:39:42 +01:00 |
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vijay
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275e852e8b
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Merge pull request #2 from TREX-CoE/main
Main
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2021-01-08 20:40:21 +01:00 |
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680a0880b4
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Added file names as properties
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2020-12-24 17:47:36 +01:00 |
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913b50099b
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HTML
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2020-12-03 18:59:25 +01:00 |
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d2bab284ac
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Tilde
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2020-12-03 18:57:15 +01:00 |
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4e76e6dd83
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Merge branch 'main'
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2020-11-25 18:42:37 +01:00 |
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efb1c52a61
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Update workflows with master branch
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2020-11-25 18:41:55 +01:00 |
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Anthony Scemama
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6dfa8692b3
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Update CSS
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2020-11-25 18:39:31 +01:00 |
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23a370bc47
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Merge branch 'main' of github.com:TREX-CoE/qmckl into main
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2020-11-14 18:30:07 +01:00 |
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6b797bd5d4
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Added AO basis in context. Tests to do
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2020-11-14 18:27:38 +01:00 |
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d50737687c
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Inline function in polynomials
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2020-11-07 16:38:32 +01:00 |
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03f46f7bb6
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Merge branch 'main' of github.com:TREX-CoE/qmckl into main
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2020-11-07 16:27:27 +01:00 |
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8a53306a63
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Fix GH workflow
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2020-11-07 16:17:37 +01:00 |
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22e0936a63
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Fix GH workflow
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2020-11-07 16:13:58 +01:00 |
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f10b633679
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Fix GH workflow
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2020-11-07 16:12:47 +01:00 |
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352679919e
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Fix GH workflow
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2020-11-07 16:11:34 +01:00 |
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7e3d259c9d
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Added emacs config file
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2020-11-07 15:41:49 +01:00 |
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3852dad53d
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Reordering of powers in polynomials
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2020-11-06 12:10:20 +01:00 |
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abbc12e160
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Transposed VGL in ao_polynomials
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2020-11-06 11:01:33 +01:00 |
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Anthony Scemama
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b93d162a65
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Update gh-pages.yml
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2020-11-05 17:54:58 +01:00 |
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Anthony Scemama
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74f3cb0e36
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Update gh-pages.yml
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2020-11-05 17:49:59 +01:00 |
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Anthony Scemama
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5cd333a7cd
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Update config.el
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2020-11-05 16:11:54 +01:00 |
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69fa53c877
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Modified script for colorized html
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2020-11-05 15:53:28 +01:00 |
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09a6402783
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Better org-mode for documentation
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2020-11-05 15:34:58 +01:00 |
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ccc1b835d1
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Simplify org-mode
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2020-11-05 15:27:25 +01:00 |
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e774a725b9
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Merging org files
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2020-11-05 12:57:39 +01:00 |
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2467214b3a
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Introduced Gaussian basis functions
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2020-11-05 00:46:19 +01:00 |
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00a051af49
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Added const attributes
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2020-10-31 19:07:57 +01:00 |
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cd93e6dc91
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Merge branch 'main' of github.com:TREX-CoE/qmckl into main
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2020-10-31 19:01:37 +01:00 |
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d11bcab913
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Added a to_be_processes directory
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2020-10-31 19:01:26 +01:00 |
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7a5b5b096c
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Changed tabs into spaces
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2020-10-30 16:22:29 +01:00 |
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Anthony Scemama
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a62c762b05
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Update gh-pages.yml
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2020-10-29 01:14:47 +01:00 |
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2b6a96518d
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emacs26 in gh-pages
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2020-10-29 01:06:18 +01:00 |
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7e0a0425bc
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Change docs
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2020-10-29 01:02:44 +01:00 |
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e3754febfc
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Add gh-pages workflow
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2020-10-29 00:56:48 +01:00 |
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945d391f63
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Add publication of documentation on gh-pages
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2020-10-29 00:28:46 +01:00 |
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dbe5397653
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Add publication of documentation on gh-pages
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2020-10-29 00:21:22 +01:00 |
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7df788b42a
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Add publication of documentation on gh-pages
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2020-10-29 00:20:20 +01:00 |
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3aaaabfad3
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Added transa/transb in distances
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2020-10-28 20:19:07 +01:00 |
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8147ad22a7
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Optimizations in polynomials
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2020-10-28 19:28:27 +01:00 |
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abc0e6b5ab
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Optimized polynomials
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2020-10-27 17:35:49 +01:00 |
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1db7d327e7
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Syntax coloring in html
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2020-10-27 17:24:44 +01:00 |
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2cc816766f
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HTML Export file name
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2020-10-26 19:44:21 +01:00 |
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1a16defe35
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Precision in tests
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2020-10-26 19:41:07 +01:00 |
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a20394f636
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Indentation
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2020-10-26 19:36:25 +01:00 |
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d91cb765e3
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Tests in Fortran
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2020-10-26 19:33:31 +01:00 |
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4c7b2213f4
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Distance test in Fortran
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2020-10-26 18:24:23 +01:00 |
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f0c9226393
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Allow tests in fortran
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2020-10-26 16:51:16 +01:00 |
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8df6823f50
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Removed C interface from export
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2020-10-25 15:25:15 +01:00 |
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