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be44127dba
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Included auto-generation of Fortran in distances
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2021-03-20 16:56:22 +01:00 |
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b1f1843e01
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Fixed bug in polynomials
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2021-03-19 23:16:30 +01:00 |
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885f7b000e
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Fixed Fortran interface
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2021-03-19 19:11:06 +01:00 |
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170fc770f5
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Fixed fortran interface
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2021-03-19 19:05:02 +01:00 |
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135c27c2ef
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Fixed fortran interface
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2021-03-19 19:02:43 +01:00 |
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ce480af775
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Added Fortran interface for qmckl_string_of_error
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2021-03-19 18:59:04 +01:00 |
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5c81cf1dee
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Added qmckl_string_of_error
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2021-03-19 18:17:01 +01:00 |
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87ad36e342
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Fixing CI
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2021-03-19 13:47:50 +01:00 |
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14c216a51a
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FIxed tests
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2021-03-19 00:16:18 +01:00 |
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8c7a1df382
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All tests fixed
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2021-03-19 00:10:35 +01:00 |
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676d5867bd
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Fixed qmckl_memory
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2021-03-18 23:55:50 +01:00 |
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d10c84acbb
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Fixed context
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2021-03-18 19:12:39 +01:00 |
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1af0bf053f
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Memory checking
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2021-03-18 18:02:34 +01:00 |
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4bf71426e4
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Rewrote context
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2021-03-10 12:58:38 +01:00 |
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342c337677
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Separated org-mode files
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2021-03-09 01:16:23 +01:00 |
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8153b84c7b
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Working on configure.org
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2021-03-07 00:58:17 +01:00 |
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02163ce52c
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Fixing website
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2021-03-06 20:05:36 +01:00 |
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f26785b829
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Fixing makefile
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2021-03-06 19:36:46 +01:00 |
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f03cff153e
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Fixed makefile
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2021-03-06 18:19:13 +01:00 |
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88f1f82230
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Updated doc generation
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2021-03-06 14:46:01 +01:00 |
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fd4a50ddee
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Update README.org
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2021-03-06 14:14:48 +01:00 |
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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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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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Anthony Scemama
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6dfa8692b3
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Update CSS
|
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
|
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
|
2020-11-07 16:27:27 +01:00 |
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352679919e
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Fix GH workflow
|
2020-11-07 16:11:34 +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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69fa53c877
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Modified script for colorized html
|
2020-11-05 15:53:28 +01:00 |
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09a6402783
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Better org-mode for documentation
|
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
|
2020-11-05 12:57:39 +01:00 |
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2467214b3a
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Introduced Gaussian basis functions
|
2020-11-05 00:46:19 +01:00 |
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00a051af49
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Added const attributes
|
2020-10-31 19:07:57 +01:00 |
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7a5b5b096c
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Changed tabs into spaces
|
2020-10-30 16:22:29 +01:00 |
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7df788b42a
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Add publication of documentation on gh-pages
|
2020-10-29 00:20:20 +01:00 |
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3aaaabfad3
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Added transa/transb in distances
|
2020-10-28 20:19:07 +01:00 |
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8147ad22a7
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Optimizations in polynomials
|
2020-10-28 19:28:27 +01:00 |
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abc0e6b5ab
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Optimized polynomials
|
2020-10-27 17:35:49 +01:00 |
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1db7d327e7
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Syntax coloring in html
|
2020-10-27 17:24:44 +01:00 |
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2cc816766f
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HTML Export file name
|
2020-10-26 19:44:21 +01:00 |
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1a16defe35
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Precision in tests
|
2020-10-26 19:41:07 +01:00 |
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a20394f636
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Indentation
|
2020-10-26 19:36:25 +01:00 |
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d91cb765e3
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Tests in Fortran
|
2020-10-26 19:33:31 +01:00 |
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