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f8a28a037d more fortran-ic trexio_open q-posev 2021-03-24 17:13:53 +0100
c0b6f95e52 more fortran-ic test q-posev 2021-03-24 16:06:04 +0100
f7c78e73d2 more fortran-ic interface + flexible dtypes for dsets q-posev 2021-03-24 16:05:38 +0100
d0f0f2ea2c

Merge pull request #32 from TREX-CoE/fix-text Evgeny Posenitskiy 2021-03-24 13:58:34 +0100
8d3b35736c working read_dset + structured test file [fortran] q-posev 2021-03-24 11:14:47 +0100
4bdd6ea8f3 adapt for fortran interface q-posev 2021-03-23 18:19:35 +0100
cf26966b70 working write_dset [fortran] q-posev 2021-03-23 18:12:53 +0100
0a28b5e5a5 working read_num [fortran] q-posev 2021-03-23 16:34:13 +0100
d680120efe working write_num [fortran] q-posev 2021-03-23 14:57:11 +0100
0f042de49b fix read/flush group for the case of missing blocks q-posev 2021-03-23 14:41:21 +0100
ac44fc29a6 add test, works for h5 but failt for txt q-posev 2021-03-22 16:40:45 +0100
baa50bdbe2 adapt for fortran q-posev 2021-03-22 16:15:37 +0100
7f3dc0879c wip: write nums q-posev 2021-03-22 16:15:07 +0100
4cf1d966d0 better fix q-posev 2021-03-19 09:12:10 +0100
22a87a6a55 fix the bash script q-posev 2021-03-18 21:13:13 +0100
696d867725 minor cleaning in the generator q-posev 2021-03-18 21:12:28 +0100
e322a6e42d add gitignore for src q-posev 2021-03-18 21:11:56 +0100
c0f2bd3106 remove old files q-posev 2021-03-18 20:54:03 +0100
3428657560

Merge pull request #27 from TREX-CoE/generator-1 Evgeny Posenitskiy 2021-03-18 18:56:52 +0100
241ae3a74a Little changes in the bash script Anthony Scemama 2021-03-18 17:30:48 +0100
71bb61dd5b fix memory leak q-posev 2021-03-17 17:02:58 +0100
8a02ea07e2 fix for dset_dtype calloc and fscanf/fprintf q-posev 2021-03-17 15:49:43 +0100
6e7b9a370d to test for nucleus q-posev 2021-03-17 14:50:02 +0100
fcfe91d498 working and compiling for nucleus q-posev 2021-03-17 14:33:32 +0100
c3321b04fd add a bash script to be converted into make later q-posev 2021-03-16 19:52:33 +0100
cc02849689 fixed to compile q-posev 2021-03-16 19:05:05 +0100
aa67877948 generator for text backend before test q-posev 2021-03-16 18:34:07 +0100
0da57b6b6c adapt recent changes in master text backend q-posev 2021-03-15 14:13:38 +0100
44f615857b add shell scripts to compile populated files q-posev 2021-03-13 20:21:32 +0100
6a2533be3b Merge branch 'master' of github.com:TREX-CoE/trexio into generator-1 q-posev 2021-03-13 20:16:42 +0100
8e8b2ba57f

Merge pull request #26 from TREX-CoE/text Evgeny Posenitskiy 2021-03-13 20:14:55 +0100
455168efc6 Fixed Anthony Scemama 2021-03-13 00:56:16 +0100
e6a211127c Improved checks in text backend Anthony Scemama 2021-03-13 00:19:39 +0100
945c0c2a7d Added MALLOC and FREE macros Anthony Scemama 2021-03-12 16:18:11 +0100
4c40b33d1b Merge branch 'master' of github.com:TREX-CoE/trexio into generator-1 q-posev 2021-03-12 15:00:49 +0100
51d2019091

Merge pull request #25 from TREX-CoE/pass-dims-text Evgeny Posenitskiy 2021-03-12 14:13:20 +0100
798c1a1d99 works for charges q-posev 2021-03-12 14:05:31 +0100
cbddfa6010 works for nucleus_coord; text backend adapted q-posev 2021-03-12 11:56:03 +0100
adf44a7ca7 modify frontend q-posev 2021-03-12 11:55:02 +0100
fcb0fa0330 Merge branch 'master' of github.com:TREX-CoE/trexio into generator-1 q-posev 2021-03-11 09:14:39 +0100
76fe1b9783 TODO: templator for text backend q-posev 2021-03-10 16:56:45 +0100
9244e6f0c0 fix templators q-posev 2021-03-10 16:55:21 +0100
f29f3d4263 added templator for frontend q-posev 2021-03-10 14:51:15 +0100
c0b319a751 adapt generator for frontend q-posev 2021-03-10 14:50:51 +0100
8f295d4d12 better path-ing and some cleaning q-posev 2021-03-10 11:54:23 +0100
ca234fb569 dimension in write_dset populated properply + error handling q-posev 2021-03-10 11:48:43 +0100
fba6c88973 proper path-ing using os.path q-posev 2021-03-10 10:27:44 +0100
ba0f14a6cc TODO: properly populate dimensions in write_dset q-posev 2021-03-09 16:31:12 +0100
50841e1937 wip: generate read/write_dset functions q-posev 2021-03-09 15:48:32 +0100
ebc7aa5d40 dummy generator for auxiliary files q-posev 2021-03-09 11:58:47 +0100
ac58337ee1

Merge pull request #23 from TREX-CoE/change-h5rw-num Anthony Scemama 2021-03-06 10:31:40 +0100
9b54f71f4a initial generator q-posev 2021-03-05 16:50:44 +0100
30927be21d initial templator q-posev 2021-03-05 16:50:26 +0100
3110a35562 new read/write for numerical attributes q-posev 2021-03-05 15:49:05 +0100
e88a228bb5

Merge pull request #22 from TREX-CoE/change_h5rw_datasets Evgeny Posenitskiy 2021-03-05 08:59:44 +0100
b964b73bbe

removed bracket Evgeny Posenitskiy 2021-03-04 20:43:44 +0100
e624be1435

Merge branch 'master' into change_h5rw_datasets Evgeny Posenitskiy 2021-03-04 20:21:08 +0100
1df9cd7177 uint32 rank and better error handling q-posev 2021-03-04 19:39:06 +0100
05d55028c4 add error codes for invalid returns q-posev 2021-03-04 19:36:32 +0100
db1f1d6980 fix leaking memory q-posev 2021-03-04 18:53:13 +0100
e52cfbafea dummy write and smart read q-posev 2021-03-04 15:02:23 +0100
aee737fa23 provide dimensions and decouple dataset read/write from parent group q-posev 2021-03-04 14:03:34 +0100
88d2808200 missing mode in rdm q-posev 2021-03-04 14:00:56 +0100
aa5dd6ea83

Merge pull request #21 from TREX-CoE/correct-append Evgeny Posenitskiy 2021-03-04 09:45:00 +0100
a3e2a3920d modify the test to fail when appending on non-existing file q-posev 2021-03-04 09:41:27 +0100
9494f02e37 append on non-existing file should fail q-posev 2021-03-04 09:41:00 +0100
0328564967

Merge pull request #20 from TREX-CoE/file-locking Evgeny Posenitskiy 2021-03-04 09:27:15 +0100
3ac1f8f135 Locking asked from the front to the back Anthony Scemama 2021-03-03 19:20:01 +0100
d2efb67a9d stupid but working implementation of read/write_dset decoupled from read_group q-posev 2021-03-03 15:59:30 +0100
a9a00e8bec make consistent with _hdf5.org file q-posev 2021-03-03 13:33:15 +0100
563d395d24

Merge pull request #15 from TREX-CoE/append_mode Evgeny Posenitskiy 2021-03-03 13:21:18 +0100
b8c569f9a3 add test to read/append non-existing files q-posev 2021-03-03 13:19:47 +0100
c370434dcf add append mode to front end q-posev 2021-03-03 11:50:04 +0100
ccf03370f7 add test for append in h5 q-posev 2021-03-03 11:49:42 +0100
886a3d2162 working append mode for hdf5 q-posev 2021-03-03 11:49:21 +0100
d3f2fd6263

Merge pull request #14 from TREX-CoE/text Evgeny Posenitskiy 2021-03-03 10:13:02 +0100
997bc92f52 Forgot org files Anthony Scemama 2021-03-03 10:09:50 +0100
d4b2ff5c6e Rewrote text back end Anthony Scemama 2021-03-03 02:28:00 +0100
f0bc65555f

Merge pull request #12 from TREX-CoE/change-trex-json Evgeny Posenitskiy 2021-03-02 16:54:38 +0100
27f9724772 correct (non)local_n_max naming q-posev 2021-03-02 16:52:05 +0100
b798205974 add num_ prefix to (non)local_n_max q-posev 2021-03-02 16:46:20 +0100
0f79754e9f typos and commas q-posev 2021-03-02 16:43:02 +0100
cd7f5f53ed

Update README.md Anthony Scemama 2021-03-02 14:30:46 +0100
49a73b6d75 Renamed trio in trexio Anthony Scemama 2021-03-02 13:56:30 +0100
c58231e135 Added trex.config in JSON format. Closes #1 Anthony Scemama 2021-03-02 13:03:46 +0100
c3fd60fd6d

Merge pull request #11 from TREX-CoE/consecutive-test Evgeny Posenitskiy 2021-03-02 11:45:22 +0100
a0172e26c1 consecutive testing for hdf5 q-posev 2021-03-02 11:41:25 +0100
cbb936564e added write_h5 test q-posev 2021-03-02 11:27:09 +0100
ff28a435d9

Merge pull request #2 from TREX-CoE/hdf5-backend Evgeny Posenitskiy 2021-03-02 11:04:01 +0100
2b228915ac

Merge branch 'master' into hdf5-backend Evgeny Posenitskiy 2021-03-02 11:03:15 +0100
9cf8d26110 hdf5 backend working q-posev 2021-03-02 10:55:13 +0100
472dd5fd91 add test to read nucleus_coord from hdf5 q-posev 2021-02-23 18:20:14 +0100
92f6a8fa81 replaced some ints with unsigned ints q-posev 2021-02-23 18:18:20 +0100
29b4e4d313 WIP: hdf5: read_nucleus_coord works q-posev 2021-02-23 18:17:14 +0100
ac9e1aa410 change int64 to uint64 q-posev 2021-02-22 11:40:13 +0100
258266004b TODO in org file Anthony Scemama 2021-02-22 10:56:16 +0100
0c60cf78d9 Example works with no memory leaks Anthony Scemama 2021-02-20 18:16:10 +0100
43bbcfcdbf Library compiles Anthony Scemama 2021-02-20 17:12:38 +0100
d56de54275

Initial commit Evgeny P 2021-01-18 15:48:36 +0100