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mirror of https://github.com/TREX-CoE/trexio.git synced 2024-07-23 03:07:45 +02:00
Commit Graph

623 Commits

Author SHA1 Message Date
aa67877948 generator for text backend before test 2021-03-16 18:34:07 +01:00
0da57b6b6c adapt recent changes in master text backend 2021-03-15 14:13:38 +01:00
44f615857b add shell scripts to compile populated files 2021-03-13 20:21:32 +01:00
6a2533be3b Merge branch 'master' of github.com:TREX-CoE/trexio into generator-1 2021-03-13 20:16:42 +01:00
Evgeny Posenitskiy
8e8b2ba57f
Merge pull request #26 from TREX-CoE/text
Improved checks in text back end
2021-03-13 20:14:55 +01:00
455168efc6 Fixed 2021-03-13 00:56:16 +01:00
e6a211127c Improved checks in text backend 2021-03-13 00:19:39 +01:00
945c0c2a7d Added MALLOC and FREE macros 2021-03-12 16:18:11 +01:00
4c40b33d1b Merge branch 'master' of github.com:TREX-CoE/trexio into generator-1 2021-03-12 15:00:49 +01:00
Evgeny Posenitskiy
51d2019091
Merge pull request #25 from TREX-CoE/pass-dims-text
Pass rank and dims to read/write in text backend, fixes #24
2021-03-12 14:13:20 +01:00
798c1a1d99 works for charges 2021-03-12 14:05:31 +01:00
cbddfa6010 works for nucleus_coord; text backend adapted 2021-03-12 11:56:03 +01:00
adf44a7ca7 modify frontend 2021-03-12 11:55:02 +01:00
fcb0fa0330 Merge branch 'master' of github.com:TREX-CoE/trexio into generator-1 2021-03-11 09:14:39 +01:00
76fe1b9783 TODO: templator for text backend 2021-03-10 16:56:45 +01:00
9244e6f0c0 fix templators 2021-03-10 16:55:21 +01:00
f29f3d4263 added templator for frontend 2021-03-10 14:51:15 +01:00
c0b319a751 adapt generator for frontend 2021-03-10 14:50:51 +01:00
8f295d4d12 better path-ing and some cleaning 2021-03-10 11:54:23 +01:00
ca234fb569 dimension in write_dset populated properply + error handling 2021-03-10 11:48:43 +01:00
fba6c88973 proper path-ing using os.path 2021-03-10 10:27:44 +01:00
ba0f14a6cc TODO: properly populate dimensions in write_dset 2021-03-09 16:31:12 +01:00
50841e1937 wip: generate read/write_dset functions 2021-03-09 15:48:32 +01:00
ebc7aa5d40 dummy generator for auxiliary files 2021-03-09 11:58:47 +01:00
ac58337ee1
Merge pull request #23 from TREX-CoE/change-h5rw-num
new read/write for numerical attributes
2021-03-06 10:31:40 +01:00
9b54f71f4a initial generator 2021-03-05 16:50:44 +01:00
30927be21d initial templator 2021-03-05 16:50:26 +01:00
3110a35562 new read/write for numerical attributes 2021-03-05 15:49:05 +01:00
Evgeny Posenitskiy
e88a228bb5
Merge pull request #22 from TREX-CoE/change_h5rw_datasets
hdf5_read/write_dset decoupled from the parent group
2021-03-05 08:59:44 +01:00
Evgeny Posenitskiy
b964b73bbe
removed bracket 2021-03-04 20:43:44 +01:00
Evgeny Posenitskiy
e624be1435
Merge branch 'master' into change_h5rw_datasets 2021-03-04 20:21:08 +01:00
1df9cd7177 uint32 rank and better error handling 2021-03-04 19:39:06 +01:00
05d55028c4 add error codes for invalid returns 2021-03-04 19:36:32 +01:00
db1f1d6980 fix leaking memory 2021-03-04 18:53:13 +01:00
e52cfbafea dummy write and smart read 2021-03-04 15:02:23 +01:00
aee737fa23 provide dimensions and decouple dataset read/write from parent group 2021-03-04 14:03:34 +01:00
88d2808200 missing mode in rdm 2021-03-04 14:00:56 +01:00
Evgeny Posenitskiy
aa5dd6ea83
Merge pull request #21 from TREX-CoE/correct-append
Correct append on non-existing file
2021-03-04 09:45:00 +01:00
a3e2a3920d modify the test to fail when appending on non-existing file 2021-03-04 09:41:27 +01:00
9494f02e37 append on non-existing file should fail 2021-03-04 09:41:00 +01:00
Evgeny Posenitskiy
0328564967
Merge pull request #20 from TREX-CoE/file-locking
Locking asked from the front to the back
2021-03-04 09:27:15 +01:00
3ac1f8f135 Locking asked from the front to the back 2021-03-03 19:20:01 +01:00
d2efb67a9d stupid but working implementation of read/write_dset decoupled from read_group 2021-03-03 15:59:30 +01:00
a9a00e8bec make consistent with _hdf5.org file 2021-03-03 13:33:15 +01:00
Evgeny Posenitskiy
563d395d24
Merge pull request #15 from TREX-CoE/append_mode
Append mode for trexio_open; fixes #13
2021-03-03 13:21:18 +01:00
b8c569f9a3 add test to read/append non-existing files 2021-03-03 13:19:47 +01:00
c370434dcf add append mode to front end 2021-03-03 11:50:04 +01:00
ccf03370f7 add test for append in h5 2021-03-03 11:49:42 +01:00
886a3d2162 working append mode for hdf5 2021-03-03 11:49:21 +01:00
Evgeny Posenitskiy
d3f2fd6263
Merge pull request #14 from TREX-CoE/text
Rewrote text back end
Split org file
2021-03-03 10:13:02 +01:00