1ba77e1629
apply utils::logical() in more places
2021-09-21 14:15:02 -04:00
41a3eccd1c
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
29bf3acd9e
apply changes to modify class
2021-08-06 18:34:32 -04:00
29eee29241
Merge pull request #2860 from evoyiatzis/patch-1
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fixing compute gyration/shape indexing bug
2021-07-30 15:45:51 -04:00
82936b1e4f
fixing indexing bug
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The gyration_tensor[4] element as computed by "compute gyration" corresponds to the xz component of the gyration tensor and the gyration_tensor[5] to the yz component. The code assumed that gyration_tensor[4] corresponds to the yz component and the gyration_tensor[5] to the xz.
2021-07-30 18:14:44 +02:00
5b6b6b8767
simplify and use utils functions
2021-07-29 14:33:41 -04:00
d292da78ca
address CodeQL warnings and reformat with clang-format
2021-07-27 12:29:44 -04:00
f7f85822a9
move some more computes from EXTRA-COMPUTE back to src because of dependencies
2021-07-27 12:07:27 -04:00
ec069595f7
move compute orientorder/atom because compute coord/atom depends on it
2021-07-27 11:16:40 -04:00
852f18525d
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
