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15b48a469b
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remove org-html-themes for submodules
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2021-09-23 15:45:11 +02:00 |
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Evgeny Posenitskiy
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b7dc5fc49f
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Merge pull request #59 from TREX-CoE/general-attributes
General numerical attributes (float, int, dim types)
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2021-09-22 13:33:43 +02:00 |
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7477a8a343
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update tutorial in docs and enhance the format
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2021-09-22 12:16:32 +02:00 |
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187b15ddd6
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fix io_num tests
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2021-09-22 11:41:29 +02:00 |
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14472cda48
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better error handling in case of invalid dimensioning variable
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2021-09-22 11:33:27 +02:00 |
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72c8d01f34
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adapt consistency check of array dimensions for dim type
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2021-09-22 11:23:17 +02:00 |
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0167a53d50
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add dim type for dimensioning variables in the trex.json
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2021-09-22 10:56:25 +02:00 |
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389d265f7f
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fix cppcheck warnings regarding redundant size_dset_str checks
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2021-09-21 16:08:04 +02:00 |
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d1a9af4185
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remove blank spaces in front of pointers
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2021-09-21 15:54:11 +02:00 |
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788f7e666d
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read single numerical attributes based on _isSet bool flag
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2021-09-21 15:41:12 +02:00 |
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d5405e700c
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raise TREXIO_INVALID_ARG_2 also when writing zero as dimensioning variable
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2021-09-21 14:35:29 +02:00 |
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6459543afd
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better front end documentation for numerical attributes
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2021-09-21 10:58:07 +02:00 |
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11a17c65d3
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add attr_ prefix to the template file name for numerical attributes
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2021-09-21 10:41:37 +02:00 |
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c22e9d2925
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put back sanity check that dimensioning variables are positive
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2021-09-20 17:00:05 +02:00 |
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ce0d98b984
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add conversion of float-like attributes into an output tuple
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2021-09-20 15:52:55 +02:00 |
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2497a80f90
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adapt triggers in the generator_tools
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2021-09-20 15:51:57 +02:00 |
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4b9827048f
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adapt the templates in back ends
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2021-09-20 15:51:36 +02:00 |
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261e7c8b84
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modify front end for more general numerical attributes
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2021-09-20 13:16:44 +02:00 |
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Evgeny Posenitskiy
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418aa304cd
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Merge pull request #57 from TREX-CoE/swig-python
Add tools and README for manylinux wheels
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2021-09-16 16:45:30 +02:00 |
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04c4b8806c
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Merge branch 'master' into swig-python
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2021-09-16 16:41:46 +02:00 |
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79f233e00d
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completed README
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2021-09-16 16:40:29 +02:00 |
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66cf305a40
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add Docker files and bash scripts to build HDF5 1.12 in manylinux containers
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2021-09-16 15:31:11 +02:00 |
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d00fb62f83
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Fixed equation
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2021-09-15 15:05:51 +02:00 |
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212daf43be
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Fixed table
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2021-09-15 15:04:55 +02:00 |
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55595f43cd
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Fixed equation
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2021-09-15 15:03:20 +02:00 |
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6e2f5d2901
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Updated ECP documentation
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2021-09-15 14:58:02 +02:00 |
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11dadaab36
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add tutorial HTML page to the main documentation
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2021-09-15 13:43:57 +02:00 |
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f251f0afba
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remove unnecessary comments in the SWIG interface
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2021-09-14 17:30:05 +02:00 |
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ab14156c91
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rename the build_manylinux script
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2021-09-14 17:28:58 +02:00 |
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816fe72949
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more flexible build_manylinux_wheels bash script
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2021-09-14 17:28:05 +02:00 |
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55c2c052b0
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Merge pull request #56 from TREX-CoE/swig-python
TREXIO Python API
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2021-09-14 11:39:17 +02:00 |
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264faf9c74
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adapt MANIFEST.in to the structure of examples directory
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2021-09-14 10:51:36 +02:00 |
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39b127270f
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add workflow to check Python API on Ubuntu
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2021-09-14 10:17:20 +02:00 |
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e9c376c83b
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add trexio-tutorials repo as git submodule
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2021-09-14 10:08:25 +02:00 |
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686c3fb773
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Merge branch 'master' into swig-python
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2021-09-14 09:50:40 +02:00 |
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8917cb747b
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better README
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2021-09-14 09:48:55 +02:00 |
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a880b0b354
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Added tutorial_benzene.md
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2021-09-13 18:09:06 +02:00 |
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71f4006987
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better README + Binder badge
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2021-09-13 17:21:34 +02:00 |
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7c0b7a36ba
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update Tutorial section and add Binder badge
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2021-09-13 17:20:51 +02:00 |
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bff44a8f64
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add gitignore
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2021-09-13 14:54:25 +02:00 |
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3b0c1a637d
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more flexible build_manylinux_ bash script
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2021-09-13 14:54:00 +02:00 |
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d04106f72d
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max_str_len should be int32_t to properly check for negative values
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2021-09-13 13:35:45 +02:00 |
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1589995775
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do not use warnings for an attempt to overwrite in the Python API
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2021-09-13 11:46:31 +02:00 |
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2bd4ef9bfd
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add has_ functions to the Python API
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2021-09-13 11:29:00 +02:00 |
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77e3f1ac11
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print UserWarning instead of raising Error for an attempt to overwrite data
following suggestion of Vijay G.C.
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2021-09-12 14:24:50 +02:00 |
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d060808467
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do not reveal paths to trexio (security concerns)
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2021-09-12 13:36:24 +02:00 |
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12dd1fd8dc
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apply some suggestions from cppcheck
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2021-09-12 13:25:03 +02:00 |
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97f1d3b723
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better documentation
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2021-09-12 12:27:08 +02:00 |
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b1f1aee7ab
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Merge branch 'master' into swig-python
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2021-09-10 14:04:15 +02:00 |
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ab3f56c023
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remove jupyter from requirements.txt
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2021-09-10 14:02:10 +02:00 |
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