Cronologia Commit

Autore SHA1 Messaggio Data
  Kei Kebreau 15014666c6 Fix add_ligands.m to use CdSe clusters generated by generate_cdse.m. 5 anni fa
  Kei Kebreau 2eda3714c4 Remove obsolete plane equation scripts. 5 anni fa
  Kei Kebreau 5254c00bc8 Add new template molecules. 5 anni fa
  Kei Kebreau 3e9b93b7e0 Relicense project to GPL version 3 or later where applicable. 5 anni fa
  Kei Kebreau 5c3f61b5d6 Add cluster generation script. 5 anni fa
  Kei Kebreau 71eb4fa60f Use quaternion package from Octave Forge. 5 anni fa
  Kei Kebreau 2c0f6db2c6 Add example molecules, the Maxima programs used to generate the plane 5 anni fa
  Kei Kebreau b8546f3b27 Factor out quaternion-related code to a separate file. 5 anni fa
  Kei Kebreau 2208cdb882 Small updates to graph_potential.m. 6 anni fa
  Kei Kebreau ff01e9ffe3 Add process_log.m. 6 anni fa
  Kei Kebreau 768dfa76e8 Rename potential_grid.m to graph_potential.m. 6 anni fa
  Kei Kebreau 37da6ff2a2 Major update to potential_grid.m. 6 anni fa
  Kei Kebreau 72c73ef49b Add potential_grid.m. 6 anni fa
  Kei Kebreau 3822ad3799 Add message dialog on error. 6 anni fa
  Kei Kebreau 961f91f09a Update README.md. 6 anni fa
  Kei Kebreau ca023b4dd7 Fix execution of calc_hydroxl_dist.m. 6 anni fa
  Kei Kebreau f393d0d96e Speed improvements for add_ligands.m. 6 anni fa
  Kei Kebreau d55f802dde With the new metric, face data is no longer necessary. Remove face data code. 6 anni fa
  Kei Kebreau e4680015e5 Rename calc-hydroxl-dist.m to calc_hydroxl_dist.m. 6 anni fa
  Kei Kebreau 87d14c0ecb Tiny micro-optimization in main for loop. 6 anni fa
  Kei Kebreau f77fee56d1 Rename add_ligands.m, with small changes. 6 anni fa
  Kei Kebreau 6dc5c62078 Small adjustment for Windows. 6 anni fa
  Kei Kebreau d789491234 Increase precision in calculation output. 6 anni fa
  Kei Kebreau 686803dc18 Update calculation script with face discrimination and a new fitness metric. 6 anni fa
  Kei Kebreau 17cf325586 Add faces after coordinates. 6 anni fa
  Kei Kebreau 4da7ffc230 Output csv is now vertically aligned, plus small optimizations. 6 anni fa
  Kei Kebreau f1107e6540 Small fixes and adjustments. 6 anni fa
  Kei Kebreau 65776a14af Remove tic/toc pair from add-ligands.m. 6 anni fa
  Kei Kebreau 077313ac87 Update with some optimizations. 6 anni fa
  Kei Kebreau b922d3fe40 Add distance calculation script. 6 anni fa