|
|
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 |
|
|
|
997bc92f52
|
Forgot org files
|
2021-03-03 10:09:50 +01:00 |
|
|
|
d4b2ff5c6e
|
Rewrote text back end
|
2021-03-03 02:28:00 +01:00 |
|
Evgeny Posenitskiy
|
f0bc65555f
|
Merge pull request #12 from TREX-CoE/change-trex-json
Change trex json
|
2021-03-02 16:54:38 +01:00 |
|
|
|
27f9724772
|
correct (non)local_n_max naming
|
2021-03-02 16:52:05 +01:00 |
|
|
|
b798205974
|
add num_ prefix to (non)local_n_max
|
2021-03-02 16:46:20 +01:00 |
|
|
|
0f79754e9f
|
typos and commas
|
2021-03-02 16:43:02 +01:00 |
|
|
|
cd7f5f53ed
|
Update README.md
|
2021-03-02 14:30:46 +01:00 |
|
|
|
49a73b6d75
|
Renamed trio in trexio
|
2021-03-02 13:57:01 +01:00 |
|
|
|
c58231e135
|
Added trex.config in JSON format.
Closes #1
|
2021-03-02 13:04:13 +01:00 |
|
Evgeny Posenitskiy
|
c3fd60fd6d
|
Merge pull request #11 from TREX-CoE/consecutive-test
consecutive testing for hdf5; fixes #10
|
2021-03-02 11:45:22 +01:00 |
|
