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update new function name in ssi tutorial
package #460: Commit cc41926 pushed by martinvoegele
November 28, 2023 04:52 3h 42m 55s master
November 28, 2023 04:52 3h 42m 55s
update tutorial for water/single-atom features
package #459: Commit ba9c2b9 pushed by martinvoegele
November 27, 2023 04:37 3h 42m 15s master
November 27, 2023 04:37 3h 42m 15s
improve readability of output filenames
package #458: Commit ade8d66 pushed by martinvoegele
November 27, 2023 04:34 3h 43m 48s master
November 27, 2023 04:34 3h 43m 48s
bugfix + remove hard-coding of atom_features folder
package #457: Commit f186f01 pushed by martinvoegele
November 27, 2023 04:15 3h 41m 45s master
November 27, 2023 04:15 3h 41m 45s
remove hard-coding of water_features folder
package #456: Commit d25edc8 pushed by martinvoegele
November 27, 2023 03:47 3h 40m 49s master
November 27, 2023 03:47 3h 40m 49s
remove hard-coding of dens folder
package #455: Commit 7e1166f pushed by martinvoegele
November 27, 2023 03:43 3h 41m 47s master
November 27, 2023 03:43 3h 41m 47s
try numpy 1.22 and MDA 2.2
package #454: Commit f43194b pushed by martinvoegele
November 27, 2023 03:32 3h 44m 10s master
November 27, 2023 03:32 3h 44m 10s
try numpy 1.22 and MDA 2.2
package #453: Commit aa6d7fa pushed by martinvoegele
November 27, 2023 03:30 3h 40m 19s master
November 27, 2023 03:30 3h 40m 19s
Bump numpy from 1.20 to 1.22.0
package #452: Commit 6ab88a8 pushed by dependabot bot
November 27, 2023 03:26 3h 43m 34s dependabot/pip/numpy-1.22.0
November 27, 2023 03:26 3h 43m 34s
more specific requirements
package #451: Commit 07f3dce pushed by martinvoegele
November 27, 2023 03:25 36s master
November 27, 2023 03:25 36s
update desity tutorial
package #450: Commit 62d6afb pushed by martinvoegele
November 27, 2023 02:33 3h 6m 47s master
November 27, 2023 02:33 3h 6m 47s
adapt function name extract_aligned_coordinates, remove hard-coded fi…
package #449: Commit c7f3691 pushed by martinvoegele
November 27, 2023 01:25 3h 7m 51s master
November 27, 2023 01:25 3h 7m 51s
define os for readthedocs
package #448: Commit 123b800 pushed by martinvoegele
November 26, 2023 22:35 3h 5m 56s master
November 26, 2023 22:35 3h 5m 56s
update python version for docs
package #447: Commit c903492 pushed by martinvoegele
November 26, 2023 18:37 3h 5m 47s master
November 26, 2023 18:37 3h 5m 47s
update tutorial, part 1-5
package #446: Commit 8bfaa65 pushed by martinvoegele
November 25, 2023 05:37 3h 6m 16s master
November 25, 2023 05:37 3h 6m 16s
move non-included features to txt files
package #445: Commit 9683891 pushed by martinvoegele
November 24, 2023 04:30 3h 5m 34s master
November 24, 2023 04:30 3h 5m 34s
update docs dir
package #444: Commit d252222 pushed by martinvoegele
November 24, 2023 02:58 3h 7m 6s master
November 24, 2023 02:58 3h 7m 6s
rename and restructure functions for pca/tica feature correlations
package #443: Commit d033b29 pushed by martinvoegele
November 20, 2023 01:34 3h 12m 13s master
November 20, 2023 01:34 3h 12m 13s
remove outdated tutorial notebook
package #442: Commit e26d3e4 pushed by martinvoegele
November 19, 2023 17:22 3h 5m 4s master
November 19, 2023 17:22 3h 5m 4s
remove unused argument dim (redundant because it is the same as num)
package #441: Commit 5164bcb pushed by martinvoegele
November 19, 2023 03:15 3h 5m 24s master
November 19, 2023 03:15 3h 5m 24s
remove unnecessary print statement
package #440: Commit 70ca165 pushed by martinvoegele
November 19, 2023 01:41 3h 4m 19s master
November 19, 2023 01:41 3h 4m 19s
test workflow ith non-zero start frame
package #439: Commit 9c01dac pushed by martinvoegele
October 17, 2023 01:00 2h 25m 33s master
October 17, 2023 01:00 2h 25m 33s
improve style
package #438: Commit 26f13ff pushed by martinvoegele
October 16, 2023 02:14 3h 21m 10s master
October 16, 2023 02:14 3h 21m 10s
remove old preprocessing example
package #437: Commit 17949bb pushed by martinvoegele
October 15, 2023 16:30 3h 22m 47s master
October 15, 2023 16:30 3h 22m 47s
bugfixes
package #436: Commit 211694e pushed by martinvoegele
October 15, 2023 13:12 3h 20m 50s master
October 15, 2023 13:12 3h 20m 50s