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97b8d8db13
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Merge branch 'master' into v2.3
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2023-05-22 12:21:59 +02:00 |
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7206d51760
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Fixed tests with gfortran 4
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2023-05-22 12:19:58 +02:00 |
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96463a8376
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Fixing too modern fortran test
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2023-05-22 12:16:41 +02:00 |
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e6b9ee62ad
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Fixing too modern fortran test
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2023-05-22 12:10:20 +02:00 |
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3c76adbad5
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Improved io_dset_sparse.c test
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2023-05-13 12:28:17 +02:00 |
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cafed105a4
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Multiple tests for io_dset_sparse
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2023-05-13 12:05:56 +02:00 |
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e226bee166
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Merge branch 'master' into cppcheck
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2023-05-12 19:27:00 +02:00 |
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a1ed253dc4
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Implemented index for scalar values
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2023-05-12 12:30:00 +02:00 |
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8b3d237c1f
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Working on io_dset_sparse.c. Not finished
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2023-05-10 15:52:50 +02:00 |
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ffb87acc4a
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Refactored tests
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2023-05-02 14:45:51 +02:00 |
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5663487b8e
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Fixed 32bit case for indices
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2023-05-02 10:22:53 +02:00 |
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e17e2bece0
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Check different mo_num for io_determinant_hdf5
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2023-03-27 18:14:17 +02:00 |
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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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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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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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f4c51e8c1f
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Switch from get/set_state to new read/write_state_id
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2022-10-07 14:54:37 +02:00 |
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01af80315d
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Fix Fortran interface on 32-bit archs
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2022-10-07 11:37:11 +02:00 |
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62a2b2bb74
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Fix pre_close test
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2022-10-04 15:42:23 +02:00 |
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9cbc162b47
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Safer output cleaning for TREXIO_TEXT unit tests
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2022-09-30 12:22:24 +02:00 |
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99d0ef70bd
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Remove excited state switch for I/O and add state_id
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2022-09-28 10:22:56 +02:00 |
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7fc4465d33
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Add functions to force flushing of data buffers
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2022-09-13 11:29:59 +02:00 |
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755e94afab
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Add tests for to_bitfield_list conversion
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2022-07-12 17:21:53 +02:00 |
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3ccbb4e718
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Better Fortran tests for arrays of strings
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2022-07-08 12:27:24 +02:00 |
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a8c3619655
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Add UHF possibility (#96)
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2022-07-04 14:35:24 +02:00 |
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405f19c4bc
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Adapt the tests
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2022-07-04 11:23:47 +02:00 |
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0bee7bb8d9
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Moved popcount and trailz in private header
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2022-05-29 11:24:51 +02:00 |
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9186a9493f
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Adapt the tests to shifted MO indices
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2022-05-23 16:02:45 +02:00 |
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q-posev
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9bbfc34ee5
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Update unit tests to use get_int64_num
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2022-04-29 12:17:38 +02:00 |
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109f3ea41f
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Add tests for to_orbital_list_up_dn functions
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2022-04-22 13:18:29 +02:00 |
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7f16ade48f
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Add tests
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2022-04-15 15:21:20 +02:00 |
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17ea14f648
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Test I/O of coefficients for two states
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2022-04-15 11:42:27 +02:00 |
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42ae31a4d1
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Add coefficients to text back end and test
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2022-04-14 16:35:32 +02:00 |
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33838546c7
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Merge branch 'master' into add-determinants
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2022-04-13 16:56:31 +02:00 |
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cc447a4933
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Fix CMake
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2022-04-13 10:44:58 +02:00 |
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q-posev
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f333c9a20f
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Fortran test determinants and minor changes
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2022-04-12 16:36:04 +02:00 |
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q-posev
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722453688b
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Fix EOF detection for an arbitrary ranked dset
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2022-04-12 11:48:21 +02:00 |
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q-posev
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4904de5674
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Fix bug with broken data offset upon writing
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2022-04-12 11:47:07 +02:00 |
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q-posev
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81c4283353
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Add tests
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2022-04-12 00:45:59 +02:00 |
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15c8e10184
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Added test
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2022-03-31 13:53:57 +02:00 |
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7a2a60f347
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Use trexio int types in Fortran tests
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2022-03-07 12:48:13 +01:00 |
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246847b8d5
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Merge branch 'master' into add-auto-backend
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2022-01-25 16:24:34 +01:00 |
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d9309f5ab2
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modify some tests to use TREXIO_AUTO back end
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2022-01-25 15:00:55 +01:00 |
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8947f6caa7
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Merge branch 'master' into add-unsafe-open-mode
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2022-01-24 18:25:52 +01:00 |
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82e7cd058b
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add overwriting functionality for unsafe mode [HDF5]
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2022-01-24 16:15:31 +01:00 |
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f68a59417e
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add overwriting functionality for unsafe mode [TEXT]
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2022-01-24 16:13:27 +01:00 |
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7ba6924a8a
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add unit tests for delete_group functionality
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2022-01-24 10:12:44 +01:00 |
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4afd9cf2c1
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Merge branch 'master' into add-inquire-functionality
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2022-01-20 14:32:50 +01:00 |
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5e82e0fc57
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add tests for trexio_info
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2022-01-20 14:22:32 +01:00 |
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