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ac44fc29a6
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add test, works for h5 but failt for txt
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2021-03-22 16:40:45 +01:00 |
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baa50bdbe2
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adapt for fortran
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2021-03-22 16:15:37 +01:00 |
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7f3dc0879c
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wip: write nums
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2021-03-22 16:15:07 +01:00 |
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4cf1d966d0
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better fix
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2021-03-19 09:12:10 +01:00 |
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22a87a6a55
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fix the bash script
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2021-03-18 21:13:13 +01:00 |
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696d867725
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minor cleaning in the generator
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2021-03-18 21:12:28 +01:00 |
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e322a6e42d
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add gitignore for src
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2021-03-18 21:11:56 +01:00 |
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c0f2bd3106
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remove old files
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2021-03-18 20:54:03 +01:00 |
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Evgeny Posenitskiy
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3428657560
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Merge pull request #27 from TREX-CoE/generator-1
implemented templates and generator
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2021-03-18 18:56:52 +01:00 |
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241ae3a74a
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Little changes in the bash script
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2021-03-18 17:30:48 +01:00 |
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71bb61dd5b
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fix memory leak
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2021-03-17 17:02:58 +01:00 |
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8a02ea07e2
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fix for dset_dtype calloc and fscanf/fprintf
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2021-03-17 15:49:43 +01:00 |
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6e7b9a370d
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to test for nucleus
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2021-03-17 14:50:02 +01:00 |
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fcfe91d498
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working and compiling for nucleus
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2021-03-17 14:33:32 +01:00 |
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c3321b04fd
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add a bash script to be converted into make later
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2021-03-16 19:52:33 +01:00 |
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cc02849689
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fixed to compile
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2021-03-16 19:05:05 +01:00 |
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aa67877948
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generator for text backend before test
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2021-03-16 18:34:07 +01:00 |
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0da57b6b6c
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adapt recent changes in master text backend
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2021-03-15 14:13:38 +01:00 |
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44f615857b
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add shell scripts to compile populated files
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2021-03-13 20:21:32 +01:00 |
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6a2533be3b
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Merge branch 'master' of github.com:TREX-CoE/trexio into generator-1
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2021-03-13 20:16:42 +01:00 |
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Evgeny Posenitskiy
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8e8b2ba57f
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Merge pull request #26 from TREX-CoE/text
Improved checks in text back end
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2021-03-13 20:14:55 +01:00 |
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455168efc6
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Fixed
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2021-03-13 00:56:16 +01:00 |
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e6a211127c
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Improved checks in text backend
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2021-03-13 00:19:39 +01:00 |
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945c0c2a7d
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Added MALLOC and FREE macros
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2021-03-12 16:18:11 +01:00 |
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4c40b33d1b
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Merge branch 'master' of github.com:TREX-CoE/trexio into generator-1
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2021-03-12 15:00:49 +01:00 |
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Evgeny Posenitskiy
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51d2019091
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Merge pull request #25 from TREX-CoE/pass-dims-text
Pass rank and dims to read/write in text backend, fixes #24
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2021-03-12 14:13:20 +01:00 |
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798c1a1d99
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works for charges
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2021-03-12 14:05:31 +01:00 |
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cbddfa6010
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works for nucleus_coord; text backend adapted
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2021-03-12 11:56:03 +01:00 |
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adf44a7ca7
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modify frontend
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2021-03-12 11:55:02 +01:00 |
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fcb0fa0330
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Merge branch 'master' of github.com:TREX-CoE/trexio into generator-1
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2021-03-11 09:14:39 +01:00 |
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76fe1b9783
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TODO: templator for text backend
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2021-03-10 16:56:45 +01:00 |
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9244e6f0c0
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fix templators
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2021-03-10 16:55:21 +01:00 |
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f29f3d4263
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added templator for frontend
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2021-03-10 14:51:15 +01:00 |
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c0b319a751
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adapt generator for frontend
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2021-03-10 14:50:51 +01:00 |
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8f295d4d12
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better path-ing and some cleaning
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2021-03-10 11:54:23 +01:00 |
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ca234fb569
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dimension in write_dset populated properply + error handling
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2021-03-10 11:48:43 +01:00 |
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fba6c88973
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proper path-ing using os.path
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2021-03-10 10:27:44 +01:00 |
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ba0f14a6cc
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TODO: properly populate dimensions in write_dset
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2021-03-09 16:31:12 +01:00 |
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50841e1937
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wip: generate read/write_dset functions
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2021-03-09 15:48:32 +01:00 |
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ebc7aa5d40
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dummy generator for auxiliary files
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2021-03-09 11:58:47 +01:00 |
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ac58337ee1
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Merge pull request #23 from TREX-CoE/change-h5rw-num
new read/write for numerical attributes
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2021-03-06 10:31:40 +01:00 |
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9b54f71f4a
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initial generator
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2021-03-05 16:50:44 +01:00 |
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30927be21d
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initial templator
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2021-03-05 16:50:26 +01:00 |
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3110a35562
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new read/write for numerical attributes
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2021-03-05 15:49:05 +01:00 |
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Evgeny Posenitskiy
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e88a228bb5
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Merge pull request #22 from TREX-CoE/change_h5rw_datasets
hdf5_read/write_dset decoupled from the parent group
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2021-03-05 08:59:44 +01:00 |
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Evgeny Posenitskiy
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b964b73bbe
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removed bracket
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2021-03-04 20:43:44 +01:00 |
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Evgeny Posenitskiy
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e624be1435
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Merge branch 'master' into change_h5rw_datasets
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2021-03-04 20:21:08 +01:00 |
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1df9cd7177
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uint32 rank and better error handling
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2021-03-04 19:39:06 +01:00 |
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05d55028c4
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add error codes for invalid returns
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2021-03-04 19:36:32 +01:00 |
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db1f1d6980
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fix leaking memory
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2021-03-04 18:53:13 +01:00 |
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