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mirror of https://github.com/TREX-CoE/trexio.git synced 2025-01-07 03:43:25 +01:00
Commit Graph

93 Commits

Author SHA1 Message Date
5c21fb4220 Fix previous commit 2023-06-02 19:48:41 +02:00
160d3007a1 Fixing #125 2023-06-02 19:38:07 +02:00
5663487b8e Fixed 32bit case for indices 2023-05-02 10:22:53 +02:00
1d9b58cf21 Fixed const cast-away with index_p 2023-03-24 12:17:22 +01:00
42592c4454 Fixed style: Use pointers to const when referring to string literals [cert-STR05-C] 2023-03-24 12:16:57 +01:00
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
99d0ef70bd Remove excited state switch for I/O and add state_id 2022-09-28 10:22:56 +02:00
6ba8c5ddc3 Buffered floats v1: determinant tests pass 2022-09-27 19:56:09 +02:00
7fc4465d33 Add functions to force flushing of data buffers 2022-09-13 11:29:59 +02:00
4ed3e0c6d0 Implement trexio_has_group templates 2022-07-04 11:22:31 +02:00
bc89fdebb0 Move the polymorphism description 2022-05-18 14:56:46 +02:00
8ac21bc11d Fix backwards incompatibility of the HDF5 back end 2022-04-15 19:09:57 +02:00
d07cc9793c Merge branch 'master' into add-determinants 2022-04-15 15:32:45 +02:00
c4ccd006ca Add I/O for coefficient_size 2022-04-15 15:20:47 +02:00
d80fb125b9 Add coefficients I/O to HDF5 2022-04-15 11:41:34 +02:00
52512b7985 Fix backwards compativility of the HDF5 back end 2022-04-14 15:06:57 +02:00
3d9f1c85c4 Fix compiler warnings introduced after merging walkers branch 2022-04-13 17:04:49 +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
1dc0f0f089 Manually add source code for determinants 2022-04-12 11:49:02 +02:00
q-posev
722453688b Fix EOF detection for an arbitrary ranked dset 2022-04-12 11:48:21 +02:00
ac41cd6080 Implement HDF5 functions for determinant_list I/O 2022-04-11 16:33:01 +02:00
82e7cd058b add overwriting functionality for unsafe mode [HDF5] 2022-01-24 16:15:31 +01:00
179e0c8dfc document the HDF5 issue with releasing the free space
suggest using h5repack after each deletion to get the file size right
2022-01-24 11:52:25 +01:00
6fe5a1eaa7 [WIP] add delete_group functions and unsafe trexio_open mode 2022-01-24 10:10:16 +01:00
550c5c3954 implement trexio_inquire function in front and back ends 2022-01-19 14:06:10 +01:00
64081e46ad cppcheck fixes 2022-01-07 11:50:55 +01:00
4ef5386ae6 [cppcheck] fix some warnings 2021-12-27 16:29:26 +01:00
q-posev
31ccd27a0a fix warnings on MacOS 2021-12-17 17:07:53 +01:00
314beb58c9 refactoring done; moved common blocks into _hdf5_open_read_dset_sparse 2021-12-17 13:32:35 +01:00
1c49c81da8 [WIP] refactoring; write_dset_sparse done 2021-12-16 16:52:35 +01:00
a8b251d820 write sparse values and compress int indices depending on the max num value 2021-12-14 18:02:58 +01:00
070ef06818 better error handling for HDF5 2021-12-10 16:49:31 +01:00
1c16b75992 adapt HDF5 back end to be generated for an arbitrary number of indices 2021-12-10 16:02:38 +01:00
9f5ee463e1 only shift indices that have been read to the buffer (EOF case) 2021-12-10 14:02:05 +01:00
e00f3b106e working HDF5 I/O for sparse indices 2021-12-09 16:13:28 +01:00
e774cb6852 add read_size function to HDF5 back end 2021-12-09 14:10:51 +01:00
d001844c2f [WIP] working write_ for chunked extensible (sparse) datasets 2021-12-08 17:26:55 +01:00
d1a9af4185 remove blank spaces in front of pointers 2021-09-21 15:54:11 +02:00
d5405e700c raise TREXIO_INVALID_ARG_2 also when writing zero as dimensioning variable 2021-09-21 14:35:29 +02:00
11a17c65d3 add attr_ prefix to the template file name for numerical attributes 2021-09-21 10:41:37 +02:00
4b9827048f adapt the templates in back ends 2021-09-20 15:51:36 +02:00
12dd1fd8dc apply some suggestions from cppcheck 2021-09-12 13:25:03 +02:00
46eec89774 remove unsafe and unused file_name field from trexio_hdf5_s 2021-07-20 12:08:18 +02:00
411334e2ee Merge branch 'master' into unit-testing 2021-06-22 14:46:39 +02:00
3bd730557c remove H5LDget_dset_dims to be compatible with HDF5 v.1.8.21 2021-06-22 12:21:25 +02:00
c8fd3ba045 remove redundant check of overwriting 2021-06-21 12:48:32 +02:00
ae32a02652 pass max_str_len parameter also to read group_str 2021-06-14 14:36:19 +02:00
57b2b63902 add C preprocessor directive for memory reclaim call 2021-06-09 13:52:54 +02:00