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0a8aa638f6
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fix double deallocation in text back end
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2021-12-23 18:49:00 +01:00 |
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72897e4b5d
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[WIP] read/write of sparse data in Python
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2021-12-23 18:27:24 +01:00 |
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c2376bf168
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Fixed bug in text back-end when reading empt attributes
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2021-12-23 18:21:17 +01:00 |
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Evgeny Posenitskiy
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8ca74ffef1
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Merge pull request #70 from TREX-CoE/add-sparse-datasets
- Add sparse datasets
- Modularize generator_tools.py
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2021-12-17 17:13:22 +01:00 |
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q-posev
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31ccd27a0a
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fix warnings on MacOS
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2021-12-17 17:07:53 +01:00 |
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2639b76a6e
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optimize storage of indices depending on the size_max variable [TEXT]
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2021-12-17 15:32:03 +01:00 |
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1e457c497d
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Merge branch 'add-sparse-datasets' of github.com:TREX-CoE/trexio into add-sparse-datasets
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2021-12-17 13:33:42 +01:00 |
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daa5bdb3cc
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(inout) buffer size instead if (out) [Fortran]
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2021-12-17 13:33:27 +01:00 |
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314beb58c9
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refactoring done; moved common blocks into _hdf5_open_read_dset_sparse
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2021-12-17 13:32:35 +01:00 |
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5605be77bb
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Merge branch 'add-sparse-datasets' of github.com:TREX-CoE/trexio into add-sparse-datasets
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2021-12-17 11:03:29 +01:00 |
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9b4d11be69
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Better documentation in examples
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2021-12-17 11:03:09 +01:00 |
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1c49c81da8
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[WIP] refactoring; write_dset_sparse done
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2021-12-16 16:52:35 +01:00 |
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968cfaa3bb
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Merge branch 'add-sparse-datasets' of github.com:TREX-CoE/trexio into add-sparse-datasets
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2021-12-16 11:06:12 +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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0837da9bbe
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Added documentation
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2021-12-16 00:11:36 +01:00 |
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1514f6eb83
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Merge branch 'master' into add-sparse-datasets
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2021-12-15 22:54:30 +01:00 |
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6705f199b8
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Removed -no-install
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2021-12-15 13:46:32 +01:00 |
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2e99a14b6e
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read dim variable of sparse dset to compress storage of indices in HDF5
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2021-12-14 18:03:51 +01:00 |
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a8b251d820
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write sparse values and compress int indices depending on the max num value
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2021-12-14 18:02:58 +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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070ef06818
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better error handling for HDF5
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2021-12-10 16:49:31 +01:00 |
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32192f53aa
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fix bug in the generation of n-index functions for TEXT
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2021-12-10 16:12:19 +01:00 |
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1c16b75992
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adapt HDF5 back end to be generated for an arbitrary number of indices
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2021-12-10 16:02:38 +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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02a1350893
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Merge branch 'add-sparse-datasets' of github.com:TREX-CoE/trexio into add-sparse-datasets
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2021-12-09 16:23:46 +01:00 |
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2731b5dd6b
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add tests for I/O of floating point attributes
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2021-12-09 16:23:22 +01:00 |
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e3a1e51702
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better detailed dict
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2021-12-09 16:15:17 +01:00 |
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69e52d3071
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add tests/trexio_f.f90 module file to CLEANFILES
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2021-12-09 16:14:28 +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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e774cb6852
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add read_size function to HDF5 back end
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2021-12-09 14:10:51 +01:00 |
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Evgeny Posenitskiy
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3fc3a780b2
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Merge branch 'master' into add-sparse-datasets
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2021-12-09 09:56:19 +01:00 |
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c17297ca1d
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fix generator for single floats
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2021-12-09 09:48:55 +01:00 |
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fcf84ebb8c
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Merge branch 'add-sparse-datasets' of github.com:TREX-CoE/trexio into add-sparse-datasets
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2021-12-09 09:28:27 +01:00 |
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d001844c2f
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[WIP] working write_ for chunked extensible (sparse) datasets
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2021-12-08 17:26:55 +01:00 |
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ddcfff0f83
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add the unit test for HDF5 back end
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2021-12-08 17:24:16 +01:00 |
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61ea409c58
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Modified density matrices
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2021-12-08 12:28:37 +01:00 |
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52a82ea48e
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Make zero beta electrons possible
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2021-12-07 17:59:48 +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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bf5c651220
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refactor to set common dtype substitutions in a function
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2021-12-07 10:14:27 +01:00 |
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1ad20c1cb9
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add a test of reading a chunk that can reach EOF
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2021-12-03 19:24:49 +01:00 |
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e5bde10056
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alternative way to check for EOF with fgets while reading
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2021-12-03 19:23:01 +01:00 |
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e340c6541d
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adapt the generator to work for an arbitrary number of indices in sparse dset
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2021-12-03 16:56:45 +01:00 |
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ed3bde973e
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[WIP] more general templated variables for sparse data
+ renamed templated variables with std_dtype_in|out suffix into _format_scanf|printf for clarity
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2021-12-03 15:42:40 +01:00 |
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c520175cbe
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use size_max values provided by the read_size functions
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2021-12-03 11:48:51 +01:00 |
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5d3faddaae
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update gitignore
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2021-12-03 11:45:10 +01:00 |
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1bb8ae5b67
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unit testing for sparse data in C
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2021-12-03 11:06:31 +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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d2c95cd306
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add functions to read the number of stored sparse elements
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2021-12-02 17:28:37 +01:00 |
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