Evgeny Posenitskiy
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c8e37863c7
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Update README
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2023-01-11 19:34:27 +01:00 |
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Evgeny Posenitskiy
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4e8909d9cd
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Add extern C pre-processing macro for C++
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2023-01-11 19:03:57 +01:00 |
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e2d8cd1972
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Added reciprocal space vectors
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2023-01-10 18:48:30 +01:00 |
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Evgeny Posenitskiy
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f6623c1579
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Merge pull request #109 from TREX-CoE/phases
Introduced phase change
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2023-01-08 17:17:06 +01:00 |
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0c9a9ffc4a
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Typo
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2023-01-08 12:09:42 +01:00 |
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00fde3b5ee
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Introduced phase change
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2023-01-08 11:46:08 +01:00 |
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b13fac2012
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Merge pull request #108 from TREX-CoE/jastrow-mu
Jastrow mu
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2023-01-07 18:41:38 +01:00 |
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0f401b0bf0
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Typo
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2023-01-07 13:07:17 +01:00 |
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69841981f1
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Fix python build
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2023-01-06 20:07:42 +01:00 |
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f6184620f1
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Corrections on Jastrow mu
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2023-01-06 19:58:54 +01:00 |
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Abdallah Ammar
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664fcbbb95
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Jmu added
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2023-01-06 18:48:07 +01:00 |
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352ed6fb53
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Simplified trexio_cp
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2023-01-05 10:30:10 +01:00 |
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69aa17862c
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configure tries cp -r -n
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2023-01-05 10:28:07 +01:00 |
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52a00468c0
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For Abdallah
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2023-01-04 18:26:03 +01:00 |
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f829036f0e
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Merge pull request #107 from TREX-CoE/trexio_cp
Added trexio_cp
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2023-01-04 14:08:24 +01:00 |
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2e7756e822
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Fix fortran
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2023-01-04 13:46:16 +01:00 |
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72c100476f
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Fix fortran test
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2023-01-04 13:38:17 +01:00 |
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fd75a1cf95
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Add artifact to CI
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2023-01-04 13:25:06 +01:00 |
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Evgeny Posenitskiy
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bc5f70faad
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Merge pull request #98 from TREX-CoE/jastrow
Jastrow
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2023-01-04 10:11:05 +01:00 |
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0df2161217
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Updated Fortran test
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2023-01-03 19:39:34 +01:00 |
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52d45c1e51
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Fixed dim and better restructuration
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2023-01-03 19:28:00 +01:00 |
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fefc01b46b
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Added trexio_cp
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2023-01-03 18:29:21 +01:00 |
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484ef632e7
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Documentation
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2023-01-03 12:04:05 +01:00 |
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202fb0be1f
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Fix documentation
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2023-01-02 17:03:42 +01:00 |
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13116b4b80
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Merge branch 'master' into jastrow
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2023-01-02 16:19:16 +01:00 |
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899d64d5bf
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Integrated amplitudes
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2023-01-02 16:16:13 +01:00 |
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cc27375b15
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Fix Typo
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2023-01-02 16:13:01 +01:00 |
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5fa6cc4283
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Update ChangeLog
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2023-01-02 16:10:39 +01:00 |
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cadcf1f62d
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Merge pull request #106 from TREX-CoE/amplitudes
Amplitudes
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2023-01-02 16:07:40 +01:00 |
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23b6c9008a
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Added Jastrow group and reorganize data
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2023-01-02 16:01:51 +01:00 |
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62f76c0054
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ChangeLog
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2023-01-01 14:57:52 +01:00 |
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8b1af1a8f6
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Documentation
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2023-01-01 14:57:28 +01:00 |
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afd4936df7
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CC amplitudes
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2022-12-30 19:47:23 +01:00 |
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932e403ad2
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Change log
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2022-12-27 17:08:49 +01:00 |
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4ed30a3c7a
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Merge pull request #99 from TREX-CoE/add-grid
Add grid group
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2022-12-27 17:08:00 +01:00 |
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3b1b85f095
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revert 'periodic'
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2022-12-27 17:05:58 +01:00 |
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baf94a2700
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Merge branch 'master' of github.com:TREX-CoE/trexio
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2022-12-26 13:36:35 +01:00 |
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1451a94eaa
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Improved documentation
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2022-12-26 13:27:45 +01:00 |
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bab56408e1
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Added plane waves
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2022-12-26 13:15:16 +01:00 |
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c98c4b4721
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Require numpy<1.23 for installation with Intel
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2022-12-26 12:28:48 +01:00 |
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fb1dcb5fca
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Added 'AM_PROG_CC_C_O' in 'configure.ac'
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2022-12-13 17:09:10 +01:00 |
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158f99bde9
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Merge branch 'master' of github.com:TREX-CoE/trexio
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2022-12-13 17:08:05 +01:00 |
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4ac593351c
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hdf5_hl
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2022-12-13 17:07:57 +01:00 |
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d2d731bb3a
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Removed python output in compilation
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2022-12-05 14:54:55 +01:00 |
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d5b68b0460
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Merge branch 'slater'
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2022-12-05 14:51:21 +01:00 |
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56a1a5f5d0
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Merge pull request #105 from TREX-CoE/gammcor
Fixed dimensions
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2022-12-02 09:47:18 +01:00 |
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0b0ec5e1c0
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Fixed dimensions
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2022-12-02 09:46:30 +01:00 |
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0c18b60f1d
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Merge pull request #104 from TREX-CoE/gammcor
Added Cholesky decomposition of ERI and RDM
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2022-12-01 19:15:58 +01:00 |
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062ce5f113
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Fixing MacOS in CI
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2022-12-01 18:12:55 +01:00 |
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da19ae17de
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Fixing CI
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2022-12-01 18:11:02 +01:00 |
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