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95a28af6c4
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Merge branch 'master' of github.com:TREX-CoE/trexio into fortran-interface-1
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2021-03-24 17:28:49 +01:00 |
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91fdbf20df
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better test [fortran]
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2021-03-24 17:22:58 +01:00 |
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81810669ab
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link module when compiling fortran test
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2021-03-24 17:14:23 +01:00 |
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f8a28a037d
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more fortran-ic trexio_open
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2021-03-24 17:13:53 +01:00 |
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c0b6f95e52
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more fortran-ic test
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2021-03-24 16:06:04 +01:00 |
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f7c78e73d2
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more fortran-ic interface + flexible dtypes for dsets
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2021-03-24 16:05:38 +01:00 |
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Evgeny Posenitskiy
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d0f0f2ea2c
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Merge pull request #32 from TREX-CoE/fix-text
fix read/flush group for the case of missing blocks
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2021-03-24 13:58:34 +01:00 |
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8d3b35736c
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working read_dset + structured test file [fortran]
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2021-03-24 11:14:47 +01:00 |
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4bdd6ea8f3
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adapt for fortran interface
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2021-03-23 18:19:35 +01:00 |
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cf26966b70
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working write_dset [fortran]
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2021-03-23 18:12:53 +01:00 |
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0a28b5e5a5
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working read_num [fortran]
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2021-03-23 16:34:13 +01:00 |
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d680120efe
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working write_num [fortran]
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2021-03-23 14:57:11 +01:00 |
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0f042de49b
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fix read/flush group for the case of missing blocks
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2021-03-23 14:41:21 +01:00 |
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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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