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mirror of https://github.com/TREX-CoE/trexio.git synced 2024-09-27 12:01:01 +02:00
Commit Graph

500 Commits

Author SHA1 Message Date
3f2261ea9b Undefined num_id in HDF5 2021-03-29 00:34:03 +02:00
9edeb7825e strncat 2021-03-28 22:41:49 +02:00
56389752de const 2021-03-28 22:38:32 +02:00
4e68a808a0 scope and shadowed variable 2021-03-28 22:14:24 +02:00
35daf9db05 Redundant assignments 2021-03-28 22:10:56 +02:00
e10285efee Format strings 2021-03-28 22:01:56 +02:00
f1e02350ac Format unsigned 2021-03-28 16:35:32 +02:00
966efc66c1 Fixed: duplicate rc == EOF 2021-03-28 16:32:42 +02:00
000aad336c Fixed: file not const when write 2021-03-28 16:31:15 +02:00
83fa39ee30 Fixed unsigned int < 0 2021-03-28 16:24:35 +02:00
700803528f Format for unsigned long + overflows in struct 2021-03-28 16:22:14 +02:00
f8dae45c10 Changed i++ into ++i in loops 2021-03-28 15:48:27 +02:00
ea61a24291 Fixed: uint can't be <0 2021-03-28 15:45:18 +02:00
6cb7f4e074 Fixed: rc was not checked for multiple dims 2021-03-28 15:43:49 +02:00
10483b882c Add cppcheck in Makefile 2021-03-28 15:24:13 +02:00
1b0a60f2fe use strncpy instead of strcpy to avoid possible buffer overflows 2021-03-28 11:18:50 +02:00
c56bc49ddd Fixed resource leak (fclose) 2021-03-27 19:40:27 +01:00
ebb5ff62d3 better make for tests 2021-03-25 11:42:13 +01:00
aa160d9bea make build scripts consistent 2021-03-25 11:41:13 +01:00
91fdbf20df better test [fortran] 2021-03-24 17:22:58 +01:00
81810669ab link module when compiling fortran test 2021-03-24 17:14:23 +01:00
f8a28a037d more fortran-ic trexio_open 2021-03-24 17:13:53 +01:00
c0b6f95e52 more fortran-ic test 2021-03-24 16:06:04 +01:00
f7c78e73d2 more fortran-ic interface + flexible dtypes for dsets 2021-03-24 16:05:38 +01:00
8d3b35736c working read_dset + structured test file [fortran] 2021-03-24 11:14:47 +01:00
4bdd6ea8f3 adapt for fortran interface 2021-03-23 18:19:35 +01:00
cf26966b70 working write_dset [fortran] 2021-03-23 18:12:53 +01:00
0a28b5e5a5 working read_num [fortran] 2021-03-23 16:34:13 +01:00
d680120efe working write_num [fortran] 2021-03-23 14:57:11 +01:00
ac44fc29a6 add test, works for h5 but failt for txt 2021-03-22 16:40:45 +01:00
baa50bdbe2 adapt for fortran 2021-03-22 16:15:37 +01:00
7f3dc0879c wip: write nums 2021-03-22 16:15:07 +01:00
4cf1d966d0 better fix 2021-03-19 09:12:10 +01:00
22a87a6a55 fix the bash script 2021-03-18 21:13:13 +01:00
696d867725 minor cleaning in the generator 2021-03-18 21:12:28 +01:00
e322a6e42d add gitignore for src 2021-03-18 21:11:56 +01:00
c0f2bd3106 remove old files 2021-03-18 20:54:03 +01:00
241ae3a74a Little changes in the bash script 2021-03-18 17:30:48 +01:00
71bb61dd5b fix memory leak 2021-03-17 17:02:58 +01:00
8a02ea07e2 fix for dset_dtype calloc and fscanf/fprintf 2021-03-17 15:49:43 +01:00
6e7b9a370d to test for nucleus 2021-03-17 14:50:02 +01:00
fcfe91d498 working and compiling for nucleus 2021-03-17 14:33:32 +01:00
c3321b04fd add a bash script to be converted into make later 2021-03-16 19:52:33 +01:00
cc02849689 fixed to compile 2021-03-16 19:05:05 +01:00
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
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
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
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
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
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
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
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
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
49a73b6d75 Renamed trio in trexio 2021-03-02 13:57:01 +01:00
a0172e26c1 consecutive testing for hdf5 2021-03-02 11:41:25 +01:00
cbb936564e added write_h5 test 2021-03-02 11:27:09 +01:00
Evgeny Posenitskiy
2b228915ac
Merge branch 'master' into hdf5-backend 2021-03-02 11:03:15 +01:00
9cf8d26110 hdf5 backend working 2021-03-02 10:55:13 +01:00
472dd5fd91 add test to read nucleus_coord from hdf5 2021-02-23 18:20:14 +01:00
92f6a8fa81 replaced some ints with unsigned ints 2021-02-23 18:18:20 +01:00
29b4e4d313 WIP: hdf5: read_nucleus_coord works 2021-02-23 18:17:14 +01:00
ac9e1aa410 change int64 to uint64 2021-02-22 11:40:13 +01:00
258266004b TODO in org file 2021-02-22 10:56:16 +01:00
0c60cf78d9 Example works with no memory leaks 2021-02-20 18:16:10 +01:00
43bbcfcdbf Library compiles 2021-02-20 17:12:38 +01:00