q-posev
|
ab2eee5704
|
Fix bug in tests
|
2023-05-25 12:12:53 +02:00 |
|
|
|
97b8d8db13
|
Merge branch 'master' into v2.3
|
2023-05-22 12:21:59 +02:00 |
|
|
|
7206d51760
|
Fixed tests with gfortran 4
|
2023-05-22 12:19:58 +02:00 |
|
|
|
96463a8376
|
Fixing too modern fortran test
|
2023-05-22 12:16:41 +02:00 |
|
|
|
e6b9ee62ad
|
Fixing too modern fortran test
|
2023-05-22 12:10:20 +02:00 |
|
|
|
3c76adbad5
|
Improved io_dset_sparse.c test
|
2023-05-13 12:28:17 +02:00 |
|
|
|
cafed105a4
|
Multiple tests for io_dset_sparse
|
2023-05-13 12:05:56 +02:00 |
|
|
|
e226bee166
|
Merge branch 'master' into cppcheck
|
2023-05-12 19:27:00 +02:00 |
|
|
|
a1ed253dc4
|
Implemented index for scalar values
|
2023-05-12 12:30:00 +02:00 |
|
|
|
8b3d237c1f
|
Working on io_dset_sparse.c. Not finished
|
2023-05-10 15:52:50 +02:00 |
|
|
|
ffb87acc4a
|
Refactored tests
|
2023-05-02 14:45:51 +02:00 |
|
|
|
5663487b8e
|
Fixed 32bit case for indices
|
2023-05-02 10:22:53 +02:00 |
|
|
|
e17e2bece0
|
Check different mo_num for io_determinant_hdf5
|
2023-03-27 18:14:17 +02:00 |
|
|
|
00fde3b5ee
|
Introduced phase change
|
2023-01-08 11:46:08 +01:00 |
|
|
|
f829036f0e
|
Merge pull request #107 from TREX-CoE/trexio_cp
Added trexio_cp
|
2023-01-04 14:08:24 +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 |
|
|
|
f4c51e8c1f
|
Switch from get/set_state to new read/write_state_id
|
2022-10-07 14:54:37 +02:00 |
|
|
|
01af80315d
|
Fix Fortran interface on 32-bit archs
|
2022-10-07 11:37:11 +02:00 |
|
|
|
62a2b2bb74
|
Fix pre_close test
|
2022-10-04 15:42:23 +02:00 |
|
|
|
9cbc162b47
|
Safer output cleaning for TREXIO_TEXT unit tests
|
2022-09-30 12:22:24 +02:00 |
|
|
|
99d0ef70bd
|
Remove excited state switch for I/O and add state_id
|
2022-09-28 10:22:56 +02:00 |
|
|
|
7fc4465d33
|
Add functions to force flushing of data buffers
|
2022-09-13 11:29:59 +02:00 |
|
|
|
755e94afab
|
Add tests for to_bitfield_list conversion
|
2022-07-12 17:21:53 +02:00 |
|
|
|
3ccbb4e718
|
Better Fortran tests for arrays of strings
|
2022-07-08 12:27:24 +02:00 |
|
|
|
a8c3619655
|
Add UHF possibility (#96)
|
2022-07-04 14:35:24 +02:00 |
|
|
|
405f19c4bc
|
Adapt the tests
|
2022-07-04 11:23:47 +02:00 |
|
|
|
0bee7bb8d9
|
Moved popcount and trailz in private header
|
2022-05-29 11:24:51 +02:00 |
|
|
|
9186a9493f
|
Adapt the tests to shifted MO indices
|
2022-05-23 16:02:45 +02:00 |
|
q-posev
|
9bbfc34ee5
|
Update unit tests to use get_int64_num
|
2022-04-29 12:17:38 +02:00 |
|
|
|
109f3ea41f
|
Add tests for to_orbital_list_up_dn functions
|
2022-04-22 13:18:29 +02:00 |
|
|
|
7f16ade48f
|
Add tests
|
2022-04-15 15:21:20 +02:00 |
|
|
|
17ea14f648
|
Test I/O of coefficients for two states
|
2022-04-15 11:42:27 +02:00 |
|
|
|
42ae31a4d1
|
Add coefficients to text back end and test
|
2022-04-14 16:35:32 +02:00 |
|
|
|
33838546c7
|
Merge branch 'master' into add-determinants
|
2022-04-13 16:56:31 +02:00 |
|
|
|
cc447a4933
|
Fix CMake
|
2022-04-13 10:44:58 +02:00 |
|
q-posev
|
f333c9a20f
|
Fortran test determinants and minor changes
|
2022-04-12 16:36:04 +02:00 |
|
q-posev
|
722453688b
|
Fix EOF detection for an arbitrary ranked dset
|
2022-04-12 11:48:21 +02:00 |
|
q-posev
|
4904de5674
|
Fix bug with broken data offset upon writing
|
2022-04-12 11:47:07 +02:00 |
|
q-posev
|
81c4283353
|
Add tests
|
2022-04-12 00:45:59 +02:00 |
|
|
|
15c8e10184
|
Added test
|
2022-03-31 13:53:57 +02:00 |
|
|
|
7a2a60f347
|
Use trexio int types in Fortran tests
|
2022-03-07 12:48:13 +01:00 |
|
|
|
246847b8d5
|
Merge branch 'master' into add-auto-backend
|
2022-01-25 16:24:34 +01:00 |
|
|
|
d9309f5ab2
|
modify some tests to use TREXIO_AUTO back end
|
2022-01-25 15:00:55 +01:00 |
|
|
|
8947f6caa7
|
Merge branch 'master' into add-unsafe-open-mode
|
2022-01-24 18:25:52 +01:00 |
|
|
|
82e7cd058b
|
add overwriting functionality for unsafe mode [HDF5]
|
2022-01-24 16:15:31 +01:00 |
|
|
|
f68a59417e
|
add overwriting functionality for unsafe mode [TEXT]
|
2022-01-24 16:13:27 +01:00 |
|
|
|
7ba6924a8a
|
add unit tests for delete_group functionality
|
2022-01-24 10:12:44 +01:00 |
|
|
|
4afd9cf2c1
|
Merge branch 'master' into add-inquire-functionality
|
2022-01-20 14:32:50 +01:00 |
|
