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Author	SHA1	Message	Date
q-posev	314beb58c9	refactoring done; moved common blocks into _hdf5_open_read_dset_sparse	2021-12-17 13:32:35 +01:00
Anthony Scemama	5605be77bb	Merge branch 'add-sparse-datasets' of github.com:TREX-CoE/trexio into add-sparse-datasets	2021-12-17 11:03:29 +01:00
Anthony Scemama	9b4d11be69	Better documentation in examples	2021-12-17 11:03:09 +01:00
q-posev	1c49c81da8	[WIP] refactoring; write_dset_sparse done	2021-12-16 16:52:35 +01:00
q-posev	968cfaa3bb	Merge branch 'add-sparse-datasets' of github.com:TREX-CoE/trexio into add-sparse-datasets	2021-12-16 11:06:12 +01:00
q-posev	fafb155228	return the number of read elements if read_sparse reached EOF	2021-12-16 11:05:57 +01:00
Anthony Scemama	0837da9bbe	Added documentation	2021-12-16 00:11:36 +01:00
Anthony Scemama	1514f6eb83	Merge branch 'master' into add-sparse-datasets	2021-12-15 22:54:30 +01:00
Anthony Scemama	6705f199b8	Removed -no-install	2021-12-15 13:46:32 +01:00
q-posev	2e99a14b6e	read dim variable of sparse dset to compress storage of indices in HDF5	2021-12-14 18:03:51 +01:00
q-posev	a8b251d820	write sparse values and compress int indices depending on the max num value	2021-12-14 18:02:58 +01:00
q-posev	ba758e991f	improve tests	2021-12-14 17:46:04 +01:00
q-posev	b90abcc307	fix memory leak in the Fortran test	2021-12-13 09:59:27 +01:00
q-posev	070ef06818	better error handling for HDF5	2021-12-10 16:49:31 +01:00
q-posev	32192f53aa	fix bug in the generation of n-index functions for TEXT	2021-12-10 16:12:19 +01:00
q-posev	1c16b75992	adapt HDF5 back end to be generated for an arbitrary number of indices	2021-12-10 16:02:38 +01:00
q-posev	9f5ee463e1	only shift indices that have been read to the buffer (EOF case)	2021-12-10 14:02:05 +01:00
q-posev	7afb53be49	implement shift of sparse indices to be one-based in Fortran	2021-12-10 11:34:37 +01:00
q-posev	02a1350893	Merge branch 'add-sparse-datasets' of github.com:TREX-CoE/trexio into add-sparse-datasets	2021-12-09 16:23:46 +01:00
q-posev	2731b5dd6b	add tests for I/O of floating point attributes	2021-12-09 16:23:22 +01:00
q-posev	e3a1e51702	better detailed dict	2021-12-09 16:15:17 +01:00
q-posev	69e52d3071	add tests/trexio_f.f90 module file to CLEANFILES	2021-12-09 16:14:28 +01:00
q-posev	e00f3b106e	working HDF5 I/O for sparse indices	2021-12-09 16:13:28 +01:00
q-posev	e774cb6852	add read_size function to HDF5 back end	2021-12-09 14:10:51 +01:00
Evgeny Posenitskiy	3fc3a780b2	Merge branch 'master' into add-sparse-datasets	2021-12-09 09:56:19 +01:00
q-posev	c17297ca1d	fix generator for single floats	2021-12-09 09:48:55 +01:00
q-posev	fcf84ebb8c	Merge branch 'add-sparse-datasets' of github.com:TREX-CoE/trexio into add-sparse-datasets	2021-12-09 09:28:27 +01:00
q-posev	d001844c2f	[WIP] working write_ for chunked extensible (sparse) datasets	2021-12-08 17:26:55 +01:00
q-posev	ddcfff0f83	add the unit test for HDF5 back end	2021-12-08 17:24:16 +01:00
Anthony Scemama	61ea409c58	Modified density matrices	2021-12-08 12:28:37 +01:00
Anthony Scemama	52a82ea48e	Make zero beta electrons possible	2021-12-07 17:59:48 +01:00
q-posev	46a381550e	adapt Fortran test to proper indices for sparse data	2021-12-07 14:43:42 +01:00
q-posev	bf5c651220	refactor to set common dtype substitutions in a function	2021-12-07 10:14:27 +01:00
q-posev	1ad20c1cb9	add a test of reading a chunk that can reach EOF	2021-12-03 19:24:49 +01:00
q-posev	e5bde10056	alternative way to check for EOF with fgets while reading	2021-12-03 19:23:01 +01:00
q-posev	e340c6541d	adapt the generator to work for an arbitrary number of indices in sparse dset	2021-12-03 16:56:45 +01:00
q-posev	ed3bde973e	[WIP] more general templated variables for sparse data ... + renamed templated variables with std_dtype_in|out suffix into _format_scanf|printf for clarity	2021-12-03 15:42:40 +01:00
q-posev	c520175cbe	use size_max values provided by the read_size functions	2021-12-03 11:48:51 +01:00
q-posev	5d3faddaae	update gitignore	2021-12-03 11:45:10 +01:00
q-posev	1bb8ae5b67	unit testing for sparse data in C	2021-12-03 11:06:31 +01:00
q-posev	7e83e6698d	add Fortran test for reading sparse data size	2021-12-02 17:35:06 +01:00
q-posev	d2c95cd306	add functions to read the number of stored sparse elements	2021-12-02 17:28:37 +01:00
q-posev	acdf982a94	fixed string length for file name + comments	2021-12-01 16:28:47 +01:00
q-posev	7afce779a8	better error handling in TEXT back end	2021-12-01 16:11:40 +01:00
q-posev	f9fd18caa3	add assert to check the read values	2021-12-01 13:36:29 +01:00
q-posev	c30c3a532c	add Fortran interface for sparse data	2021-12-01 13:35:42 +01:00
q-posev	83c926fd6b	replace offset_data arg with pointer arithmetics	2021-12-01 09:56:31 +01:00
q-posev	99a234853b	add dependencies on generator Python scripts	2021-12-01 09:54:09 +01:00
q-posev	db4b66d81d	[WIP] add C test for sparse I/O in text back end	2021-11-30 16:33:30 +01:00
q-posev	d3ba8f3652	[WIP] working generator for sparse functions ... + remove trailing whitespaces	2021-11-30 16:30:36 +01:00