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mirror of https://github.com/TREX-CoE/trexio.git synced 2024-11-03 12:43:55 +01:00
Commit Graph

1157 Commits

Author SHA1 Message Date
4650e9ea7b Restructured README, and added TOC 2023-12-13 11:03:06 +01:00
9ac9ad1eb8 Fix .local 2023-12-09 15:10:43 +01:00
442f0a2704 Updated readme 2023-12-07 14:42:10 +01:00
Evgeny Posenitskiy
db7f7366d9
Fix CI 2023-10-27 13:09:54 +02:00
Evgeny Posenitskiy
5cb0894cb2
Introduce test for version 2023-10-27 13:07:48 +02:00
Evgeny Posenitskiy
a4a4a8d29c
[wheel build] Remove leftovers of MacOS wheel build 2023-10-27 12:21:09 +02:00
Evgeny Posenitskiy
d9c7533d6c
[wheel build] retire MacOS X86 and Python 3.6 builds 2023-10-27 12:13:03 +02:00
Evgeny Posenitskiy
1f29380c42
[wheel build] release Python 2.4.2 2023-10-27 11:53:39 +02:00
Evgeny Posenitskiy
2d3080a0ac
Merge pull request #129 from TREX-CoE/rust
Rust interface
2023-10-25 14:08:22 +02:00
354d1cd1f2 Removed JSON string in trexio.h 2023-10-25 13:45:44 +02:00
c1c44e7d56 Add instructions for Rust and OCaml 2023-10-25 11:36:22 +02:00
51afc129ab Changeed version to 2.4.2 in OCaml, Rust Python and CMake. Added version_memo.txt to remember changes ;-) 2023-10-25 11:29:58 +02:00
9113da7185 Fixing CI 2023-10-24 19:58:32 +02:00
8a2067d995 Bump version to 2.4.2 2023-10-24 19:54:10 +02:00
92e71be956 Added trex.json in tar.gz 2023-10-24 19:46:15 +02:00
d224396b4c Rust downloads TREXIO tar.gz 2023-10-24 17:27:08 +02:00
ccdf359a90 Update version to 2.4.1 2023-10-24 10:23:04 +02:00
ca02aa67c1 Removed version check 2023-10-24 10:21:07 +02:00
297a71ffb0 Fixing publish 2023-10-23 18:24:40 +02:00
9919d4da8d Fixing cargo publish 2023-10-23 18:16:23 +02:00
3c3c0e40be Searching for trexio.h 2023-10-23 18:12:32 +02:00
6ff3fdfae0 Added json in trexio.h 2023-10-23 17:44:31 +02:00
49462add49 Updated check_version 2023-10-23 15:57:23 +02:00
ef2ad322de Cargo doc OK 2023-10-23 15:18:40 +02:00
421581fe9d All build in rust 2023-10-23 15:11:15 +02:00
fcedff429c Moving code generation in build.rs 2023-10-18 18:09:00 +02:00
8a2ded80bc Improved with clippy 2023-10-18 15:51:00 +02:00
44a03f5551 Updated formatting 2023-10-18 15:25:57 +02:00
c577e61af4 Updated documentation 2023-10-18 15:01:04 +02:00
79cca2ad1c Improved documentation 2023-10-18 14:46:06 +02:00
dd3e86498d Added documentation 2023-10-18 12:09:02 +02:00
5f5267e34d Tests pass 2023-10-18 11:04:39 +02:00
9d2866c84b Need to check sparse read 2023-10-17 19:32:59 +02:00
3a4726cd78 Introducing read test 2023-10-17 18:56:36 +02:00
000c83f275 Introducing read test 2023-10-17 18:40:03 +02:00
38946c8ab7 Added sparse write 2023-10-16 12:52:04 +02:00
e6cc8fa59b Created tests directory 2023-10-15 18:54:38 +02:00
3cf8a8c431 write_determinant_list 2023-10-13 13:38:34 +02:00
601dfbba89 Added bitfields 2023-10-13 12:52:13 +02:00
1e7dfc8ddd Tests in bitfields 2023-10-13 11:17:13 +02:00
2afc6160f0 Added bitfields 2023-10-12 19:09:30 +02:00
06be52c0d1 Using methods 2023-10-12 14:29:37 +02:00
af9bc4360d Errors with '?' 2023-10-12 09:51:25 +02:00
6aeecd709b Better panic messages 2023-10-12 09:14:51 +02:00
7e9a3077d3 Improved usize 2023-10-12 00:56:18 +02:00
b0dc33d97b Improved test 2023-10-12 00:41:36 +02:00
05f48378d5 Write array of strings OK 2023-10-12 00:09:10 +02:00
c5f65eefe7 Scalars OK 2023-10-11 22:18:06 +02:00
0ad057f77b Fixed string -> str in Jastrow 2023-10-11 13:08:15 +02:00
94fb57b9ea Automate has functions 2023-10-11 11:18:13 +02:00