Commit Graph

71 Commits

Author SHA1 Message Date
sebastiankloth
eea3973cda Changed version to 22.11 2022-11-03 14:17:49 +01:00
sebastiankloth
33db65b148 Changed autosave 2022-11-03 14:17:28 +01:00
sebastiankloth
36eddfff1c Added allow_pickle in autosave_data 2022-06-09 08:53:58 +02:00
sebastiankloth
93686c1361 Added allow_pickle in autosave_data 2022-06-09 08:35:49 +02:00
sebastiankloth
cfe7b9db4c Increased version 2022-06-08 15:12:59 +02:00
sebastiankloth
b2ce71cbdd Allow pickle for autosave 2022-06-08 14:28:09 +02:00
sebastiankloth
39bccf8792 Changed energy_reader genfromtxt to loadtxt 2022-05-25 16:39:41 +02:00
sebastiankloth
94a30b1d40 Changed requirements 2022-05-25 10:03:30 +02:00
sebastiankloth
fc975aef0c add option to specify charges and masses for .gro files 2022-05-05 10:58:37 +02:00
sebastiankloth
dee05b44f6 changed version 2022-05-05 10:25:53 +02:00
sebastiankloth
aee6e33d75 Changed version 2022-05-03 15:18:28 +02:00
sebastiankloth
c18a369473 Fixed index reader 2022-05-03 15:15:12 +02:00
sebastiankloth
6c54848105 Reimplemented index reader 2022-05-02 17:20:34 +02:00
sebastiankloth
cefdcf7e21 Removed backups from energy reader 2022-04-27 15:38:49 +02:00
sebastiankloth
82c9b9ee36 Added import for pandas 2022-04-27 15:37:08 +02:00
sebastiankloth
1a263632b3 Added import for re 2022-04-27 15:27:31 +02:00
sebastiankloth
d064d8c963 Added import for subprocess 2022-04-27 15:14:02 +02:00
sebastiankloth
a2ae4ebfb2 Changed version 2022-04-27 15:13:18 +02:00
sebastiankloth
635cd51f7a Changed version 2022-04-27 14:23:08 +02:00
sebastiankloth
36a5d02b8c Adden new reader for energy files 2022-04-27 14:16:04 +02:00
sebastiankloth
68b8e1a305 Initial version 2022-04-20 14:08:38 +02:00