|
|
8da5c2215b
|
Removed dependency on hdf5_hl
|
2023-01-16 14:54:17 +01:00 |
|
|
|
5dff6491aa
|
Removed H5LTfind_dataset
|
2023-01-14 11:54:42 +01:00 |
|
|
|
3f0a3d62ad
|
Revert "Update README"
This reverts commit c8e37863c7.
|
2023-01-13 15:54:28 +01:00 |
|
|
|
67e6054898
|
Merge branch 'master' of github.com:TREX-CoE/trexio
|
2023-01-13 15:47:33 +01:00 |
|
|
|
9355609ced
|
Rewrote HDF5 detection
|
2023-01-13 15:47:23 +01:00 |
|
Evgeny Posenitskiy
|
c8e37863c7
|
Update README
|
2023-01-11 19:34:27 +01:00 |
|
Evgeny Posenitskiy
|
4e8909d9cd
|
Add extern C pre-processing macro for C++
|
2023-01-11 19:03:57 +01:00 |
|
|
|
e2d8cd1972
|
Added reciprocal space vectors
|
2023-01-10 18:48:30 +01:00 |
|
Evgeny Posenitskiy
|
f6623c1579
|
Merge pull request #109 from TREX-CoE/phases
Introduced phase change
|
2023-01-08 17:17:06 +01:00 |
|
|
|
0c9a9ffc4a
|
Typo
|
2023-01-08 12:09:42 +01:00 |
|
|
|
00fde3b5ee
|
Introduced phase change
|
2023-01-08 11:46:08 +01:00 |
|
|
|
b13fac2012
|
Merge pull request #108 from TREX-CoE/jastrow-mu
Jastrow mu
|
2023-01-07 18:41:38 +01:00 |
|
|
|
0f401b0bf0
|
Typo
|
2023-01-07 13:07:17 +01:00 |
|
|
|
69841981f1
|
Fix python build
|
2023-01-06 20:07:42 +01:00 |
|
|
|
f6184620f1
|
Corrections on Jastrow mu
|
2023-01-06 19:58:54 +01:00 |
|
Abdallah Ammar
|
664fcbbb95
|
Jmu added
|
2023-01-06 18:48:07 +01:00 |
|
|
|
352ed6fb53
|
Simplified trexio_cp
|
2023-01-05 10:30:10 +01:00 |
|
|
|
69aa17862c
|
configure tries cp -r -n
|
2023-01-05 10:28:07 +01:00 |
|
|
|
52a00468c0
|
For Abdallah
|
2023-01-04 18:26:03 +01:00 |
|
|
|
f829036f0e
|
Merge pull request #107 from TREX-CoE/trexio_cp
Added trexio_cp
|
2023-01-04 14:08:24 +01:00 |
|
|
|
2e7756e822
|
Fix fortran
|
2023-01-04 13:46:16 +01:00 |
|
|
|
72c100476f
|
Fix fortran test
|
2023-01-04 13:38:17 +01:00 |
|
|
|
fd75a1cf95
|
Add artifact to CI
|
2023-01-04 13:25:06 +01:00 |
|
Evgeny Posenitskiy
|
bc5f70faad
|
Merge pull request #98 from TREX-CoE/jastrow
Jastrow
|
2023-01-04 10:11:05 +01:00 |
|
|
|
0df2161217
|
Updated Fortran test
|
2023-01-03 19:39:34 +01:00 |
|
|
|
52d45c1e51
|
Fixed dim and better restructuration
|
2023-01-03 19:28:00 +01:00 |
|
|
|
fefc01b46b
|
Added trexio_cp
|
2023-01-03 18:29:21 +01:00 |
|
|
|
484ef632e7
|
Documentation
|
2023-01-03 12:04:05 +01:00 |
|
|
|
202fb0be1f
|
Fix documentation
|
2023-01-02 17:03:42 +01:00 |
|
|
|
13116b4b80
|
Merge branch 'master' into jastrow
|
2023-01-02 16:19:16 +01:00 |
|
|
|
899d64d5bf
|
Integrated amplitudes
|
2023-01-02 16:16:13 +01:00 |
|
|
|
cc27375b15
|
Fix Typo
|
2023-01-02 16:13:01 +01:00 |
|
|
|
5fa6cc4283
|
Update ChangeLog
|
2023-01-02 16:10:39 +01:00 |
|
|
|
cadcf1f62d
|
Merge pull request #106 from TREX-CoE/amplitudes
Amplitudes
|
2023-01-02 16:07:40 +01:00 |
|
|
|
23b6c9008a
|
Added Jastrow group and reorganize data
|
2023-01-02 16:01:51 +01:00 |
|
|
|
62f76c0054
|
ChangeLog
|
2023-01-01 14:57:52 +01:00 |
|
|
|
8b1af1a8f6
|
Documentation
|
2023-01-01 14:57:28 +01:00 |
|
|
|
afd4936df7
|
CC amplitudes
|
2022-12-30 19:47:23 +01:00 |
|
|
|
932e403ad2
|
Change log
|
2022-12-27 17:08:49 +01:00 |
|
|
|
4ed30a3c7a
|
Merge pull request #99 from TREX-CoE/add-grid
Add grid group
|
2022-12-27 17:08:00 +01:00 |
|
|
|
3b1b85f095
|
revert 'periodic'
|
2022-12-27 17:05:58 +01:00 |
|
|
|
baf94a2700
|
Merge branch 'master' of github.com:TREX-CoE/trexio
|
2022-12-26 13:36:35 +01:00 |
|
|
|
1451a94eaa
|
Improved documentation
|
2022-12-26 13:27:45 +01:00 |
|
|
|
bab56408e1
|
Added plane waves
|
2022-12-26 13:15:16 +01:00 |
|
|
|
c98c4b4721
|
Require numpy<1.23 for installation with Intel
|
2022-12-26 12:28:48 +01:00 |
|
|
|
fb1dcb5fca
|
Added 'AM_PROG_CC_C_O' in 'configure.ac'
|
2022-12-13 17:09:10 +01:00 |
|
|
|
158f99bde9
|
Merge branch 'master' of github.com:TREX-CoE/trexio
|
2022-12-13 17:08:05 +01:00 |
|
|
|
4ac593351c
|
hdf5_hl
|
2022-12-13 17:07:57 +01:00 |
|
|
|
d2d731bb3a
|
Removed python output in compilation
|
2022-12-05 14:54:55 +01:00 |
|
|
|
d5b68b0460
|
Merge branch 'slater'
|
2022-12-05 14:51:21 +01:00 |
|
