Emmanuel Giner
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edd9add59f
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fixed bug in FOBOSCF
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2019-06-28 00:16:47 +02:00 |
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Emmanuel Giner
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ef85dcd5b1
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FOBOCI compiles
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2019-06-27 23:38:05 +02:00 |
 Anthony Scemama
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87109fb96b
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Fixed EZFIO
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2019-02-05 21:59:26 +01:00 |
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Anthony Scemama
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f93cfb8a6f
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Revert 4idx
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2017-12-08 16:17:54 +01:00 |
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Anthony Scemama
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12295ce7c0
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Removed aligns
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2017-11-27 10:58:32 +01:00 |
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Emmanuel Giner
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b447da300e
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Modifs Manus
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2017-10-27 12:20:00 +02:00 |
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Anthony Scemama
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98f3692f4c
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Merged scemama-master
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2017-04-20 19:18:16 +02:00 |
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Anthony Scemama
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a2750bb55c
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Revert "merge with main branch"
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2017-04-20 08:48:06 +02:00 |
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Anthony Scemama
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1d6593a288
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pedantic changes
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2017-04-12 19:29:21 +02:00 |
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Anthony Scemama
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a3e2292b8e
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Merge with Dr. Giner
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2016-11-02 21:46:12 +01:00 |
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Emmanuel Giner
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d13853691a
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conflicts minimized for merge
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2016-11-02 17:39:39 +01:00 |
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Emmanuel Giner
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124d918021
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forgotten files
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2016-11-02 16:01:01 +01:00 |
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Emmanuel Giner
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82a29d5603
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no vvv integrals is ok
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2016-10-11 19:03:23 +02:00 |
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Anthony Scemama
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dd60cda0ee
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--amend
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2016-09-22 12:15:20 +02:00 |
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Emmanuel Giner
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8aebbd02cc
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New PT2 with dressed matrix is working on H2
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2016-08-30 14:10:52 +02:00 |
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Emmanuel Giner
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a0d5869054
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Modifs of fobo-scf
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2016-07-16 16:09:50 +02:00 |
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Emmanuel Giner
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e50cfeee02
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Integration for DFT seems to be ok, but need to improve the angular part
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2016-04-21 23:59:50 +02:00 |
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Emmanuel Giner
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83f77b61c8
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Two body dm implemented
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2016-04-18 20:49:49 +02:00 |
|
Emmanuel Giner
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ac8e530372
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FOBO-SCF executable works
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2016-03-11 23:27:39 +01:00 |
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Emmanuel Giner
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27a121bc1b
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added print_hcc and OVB plugin
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2016-02-17 10:52:57 +01:00 |
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Emmanuel Giner
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19e276fc0d
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added the mulliken and hyperfine coupling constants analysis
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2016-02-16 18:32:53 +01:00 |
|
Anthony Scemama
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5470e05913
|
Added target_pt2_qmc
|
2015-10-19 17:28:08 +02:00 |
|
Anthony Scemama
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dc3cfb9dbd
|
English
|
2015-10-06 15:33:11 +02:00 |
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Thomas Applencourt
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006c28f4ee
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Fix error in doc path
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2015-07-28 17:31:54 +02:00 |
|
Thomas Applencourt
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1c35435ea6
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Fixing doc in double
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2015-07-28 17:18:45 +02:00 |
|
Thomas Applencourt
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97c0dcf40b
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Fix qp_install_module
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2015-07-28 17:02:00 +02:00 |
|
Thomas Applencourt
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b97e337f4b
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Refortorisation of update_readme
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2015-07-28 16:45:45 +02:00 |
|
Anthony Scemama
|
05124ab5d4
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Cleaned MRCC in MRCC_Utils
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2015-07-13 18:00:38 +02:00 |
|
Manu
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12e81de1c7
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MRCC converges with tiny matrixes
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2015-07-03 19:19:44 +02:00 |
|
Thomas Applencourt
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39aca82195
|
Modify gitignore
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2015-06-25 16:52:08 +02:00 |
|
Thomas Applencourt
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4205e42820
|
Fix maj tree
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2015-06-24 10:51:49 +02:00 |
|
Thomas Applencourt
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93eafd009d
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Update the EZFIO.cfg with the new keyword
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2015-06-18 15:04:44 +02:00 |
|
Thomas Applencourt
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6a91e63cf3
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Move into plugins
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2015-06-17 18:23:56 +02:00 |