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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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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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00fde3b5ee
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Introduced phase change
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2023-01-08 11:46:08 +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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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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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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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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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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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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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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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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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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e9db0c66d4
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add tests
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2022-01-19 14:08:38 +01:00 |
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fafb155228
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return the number of read elements if read_sparse reached EOF
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2021-12-16 11:05:57 +01:00 |
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ba758e991f
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improve tests
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2021-12-14 17:46:04 +01:00 |
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b90abcc307
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fix memory leak in the Fortran test
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2021-12-13 09:59:27 +01:00 |
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9f5ee463e1
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only shift indices that have been read to the buffer (EOF case)
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2021-12-10 14:02:05 +01:00 |
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7afb53be49
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implement shift of sparse indices to be one-based in Fortran
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2021-12-10 11:34:37 +01:00 |
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e00f3b106e
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working HDF5 I/O for sparse indices
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2021-12-09 16:13:28 +01:00 |
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46a381550e
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adapt Fortran test to proper indices for sparse data
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2021-12-07 14:43:42 +01:00 |
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7e83e6698d
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add Fortran test for reading sparse data size
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2021-12-02 17:35:06 +01:00 |
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c30c3a532c
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add Fortran interface for sparse data
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2021-12-01 13:35:42 +01:00 |
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e18dcd5c4a
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conditional HDF5 tests based on the trexio_has_backend function
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2021-11-02 11:06:03 +01:00 |
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c24484b86a
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adapt tests to optional HDF5
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2021-11-01 11:57:03 +01:00 |
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7459589701
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adapt the tests to use basis_shell_num
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2021-10-21 15:52:12 +02:00 |
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db35b102ed
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fix tests broken due to new dimension of basis_nucleus_index
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2021-10-19 10:22:08 +02:00 |
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fb9c95bd61
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add version attributes to the Fortran module
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2021-10-08 13:55:56 +02:00 |
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9457a826d2
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return error code from trexio_open [C, Fortran]
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2021-09-22 14:50:22 +02:00 |
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ac45a937af
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Merge branch 'master' into add-strings
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2021-06-15 11:49:42 +02:00 |
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da188dbea0
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add top-level read/write functions for single strings [fortran]
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2021-06-15 11:26:03 +02:00 |
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b92a15cce7
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add top-level read/write functions for string arrays [fortran]
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2021-06-15 10:20:01 +02:00 |
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4287d76de2
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introduce calls to trexio_assert and trexio_strarray2str subroutines
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2021-06-14 11:54:10 +02:00 |
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bec752361c
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Index OK
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2021-06-10 01:49:43 +02:00 |
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aea68540c2
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working tests [front,hdf5]
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2021-06-08 16:13:11 +02:00 |
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36e85039d5
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make file names consistent with the C test
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2021-06-08 14:39:04 +02:00 |
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3331cc0591
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adapt tests to use max_str_len for a single string
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2021-06-08 10:46:20 +02:00 |
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ba0f45d4aa
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adapt tests to assert-like behaviour
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2021-06-07 11:17:02 +02:00 |
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231fe479e7
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inline with master branch
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2021-06-07 11:01:37 +02:00 |
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8fb44d585c
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fix tests
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2021-06-04 18:42:52 +02:00 |
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ea9ffaea43
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Fix fortran tests
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2021-06-04 18:14:45 +02:00 |
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d57f2004ba
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Merge branch 'master' into add-strings
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2021-06-04 18:09:26 +02:00 |
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8b580fee4a
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Automake done. Need to improve tests
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2021-05-28 13:36:39 +02:00 |
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