Commits · master · KBM / molywood · GitLab

Aug 27, 2025
- catching/ignoring possible errors with smoothing (until future fixes) · 067ff4e4
  Miłosz Wieczór authored Aug 27, 2025
  
  067ff4e4
Aug 22, 2025
- fixing real-time display · 8662d354
  Miłosz Wieczór authored Aug 22, 2025
  
  8662d354
- fix in alignments and smoothing · 9a0d20e3
  Miłosz Wieczór authored Aug 22, 2025
  
  9a0d20e3
Jul 26, 2025
- enabling add_overlay with t=0s (long overdue) · e866a2a9
  Miłosz Wieczór authored Jul 27, 2025
  
  e866a2a9
Jul 17, 2025
- added a section about the gui to home · c63f10d3
  Miłosz Wieczór authored Jul 17, 2025
  
  c63f10d3
Jul 10, 2025
- correct indexing of molid when reloading molecules multiple times · 75f5f1e6
  Miłosz Wieczór authored Jul 10, 2025
  
  75f5f1e6
Jul 05, 2025
- parser aware of empty actions in SimultaneousAction · ce65ed21
  Miłosz Wieczór authored Jul 05, 2025
  
  ce65ed21
Jul 04, 2025
- enabling text legends in plot · 52f3cb32
  Miłosz Wieczór authored Jul 04, 2025
  
  52f3cb32
- extra options to turn dynamic points on/off · cd3db769
  Miłosz Wieczór authored Jul 04, 2025
  
  cd3db769
Jul 01, 2025
- Skipping explicit dependency checks if launched from the GUI · 06d4c2c8
  Miłosz Wieczór authored Jul 01, 2025
  
  06d4c2c8
- cleanup of extra prints · 5f249b46
  Miłosz Wieczór authored Jul 01, 2025
  
  5f249b46
Jun 30, 2025
- workaround to make add_overlay a standalone action + fixing editing highlight selection on-the-fly · 295175a8
  Miłosz Wieczór authored Jun 30, 2025
  
  295175a8
Jun 27, 2025
- update environment.yml, fixing x/y axis limits · ee65d8a4
  Miłosz Wieczór authored Jun 27, 2025
  
  ee65d8a4
Jun 26, 2025
- do not change top when adding overlay preview molecule · 51fb7e73
  Miłosz Wieczór authored Jun 26, 2025
  
  51fb7e73
- updating np.infty to np.inf, removing menpo+vmd from environment.yml · f2c3a24c
  Miłosz Wieczór authored Jun 26, 2025
  
  f2c3a24c
Jun 25, 2025
- updating docs · 92c1218b
  Miłosz Wieczór authored Jun 25, 2025
  
  92c1218b
- updating docs · 2df6c849
  Miłosz Wieczór authored Jun 25, 2025
  
  2df6c849
- Updating home.md and README.md · 75d08b46
  Miłosz Wieczór authored Jun 25, 2025
  
  75d08b46
Jun 23, 2025
- handling of plot previews, adding horizontal/vertical lines · 37e5f264
  Miłosz Wieczór authored Jun 24, 2025
  
  37e5f264
May 30, 2025
- handling of "last" in plot overlays, fixing master overlays, handling textbox=false correctly · a4ea1cd3
  Miłosz Wieczór authored May 30, 2025
  
  a4ea1cd3
Mar 03, 2025
- rewriting the main loop + arguments handling for cleaner logic · 51016340
  Miłosz Wieczór authored Mar 03, 2025
  
  51016340
Feb 08, 2025
- adapting to (a) external VMD binary specification and (b) previewing in GUI without dependencies · 9347e7ce
  Miłosz Wieczór authored Feb 08, 2025
  
  9347e7ce
- added contour and custom plotting options (to be documented) · e01476a3
  Miłosz Wieczór authored Feb 08, 2025
  
  e01476a3
Jan 03, 2025
- implemented contour in highlights · 9bbc6349
  Miłosz Wieczór authored Jan 03, 2025
  
  9bbc6349
Dec 15, 2024
- enabled loading of actions only (-skipsource) · fd3a30ca
  Miłosz Wieczór authored Dec 15, 2024
  
  fd3a30ca
Dec 10, 2024
- vmd on OSX · 4fabfc7a
  Miłosz Wieczór authored Dec 10, 2024
  
  4fabfc7a
- loading package for restore_vp when launching without GUI · c292d217
  Miłosz Wieczór authored Dec 10, 2024
  
  c292d217
Dec 03, 2024
- implemented dynamic selections · 15c38ed3
  Miłosz Wieczór authored Dec 03, 2024
  
  15c38ed3
Nov 19, 2024
- minor update in docs · aa1a9ea8
  Miłosz Wieczór authored Nov 19, 2024
  
  aa1a9ea8
- correct bool processing in get_geom_overlay · b79179ea
  Miłosz Wieczór authored Nov 19, 2024
  
  b79179ea
- edits in docs · 157c55ce
  Miłosz Wieczór authored Nov 19, 2024
  
  157c55ce
Nov 17, 2024
- bugfix + the _rep syntax implemented + corrected molecules numbering for GUI +... · 3932f92d
  Miłosz Wieczór authored Nov 17, 2024
  3932f92d
Nov 16, 2024
- moving towards f-strings everywhere for clarity (2) · 3619a839
  Miłosz Wieczór authored Nov 16, 2024
  
  3619a839
- moving towards f-strings everywhere for clarity · f84479a8
  Miłosz Wieczór authored Nov 16, 2024
  
  f84479a8
Nov 15, 2024
- implemented "normalize" in translate · 5a0f07fe
  Miłosz Wieczór authored Nov 15, 2024
  
  5a0f07fe
Nov 11, 2024
- overlay sizes generalized to all cases · 64f6ecf1
  Miłosz Wieczór authored Nov 11, 2024
  
  64f6ecf1
Nov 10, 2024
- first working version of overlay previews · e6e6b89f
  Miłosz Wieczór authored Nov 10, 2024
  
  e6e6b89f
Nov 05, 2024
- minor bugfixes to make compatible with GUI · ea089e69
  Miłosz Wieczór authored Nov 05, 2024
  
  ea089e69
Nov 02, 2024
- implemented basic viewpoint management + docs · c1b024c5
  Miłosz Wieczór authored Nov 02, 2024
  
  c1b024c5
Oct 21, 2024
- fixing bug with relative paths · 89641bad
  Miłosz Wieczór authored Oct 21, 2024
  
  89641bad