Branches

• attach_pbc_bug

  41c83d01 · Consider pbc correctly. · May 12, 2021
• rraman-files

  ba632fa2 · Test number of words only · Apr 20, 2021
• rrphonons

  56c88b7e · First "implementation" of Placzek with Phonons · Feb 22, 2021
• fixdihedral

  fc99d786 · Use final forces · Nov 30, 2020
• dihedral

  a6863e02 · Calculate Jacobian from new coordinates and update in every step. · Nov 23, 2020
• phonvib

  1c6b1362 · We probably cannot compare modes · Sep 23, 2020
• franck_condon

  ce8e96a0 · Doc corrected · Aug 03, 2020
• colors

  d25d74e5 · Use colormaps() · Apr 16, 2020
• mwcogef

  f42ec477 · Merge branch 'mwcogef' of gitlab.com:mwalter/ase into mwcogef · Feb 19, 2020
• stijn

  4cc69d0a · changed to get correct slize · Feb 12, 2020
• fingerprint

  68486ee8 · better doc strings needed · Jan 22, 2020
• molecule_generator

  88ea4b2b · diag · Jan 10, 2020
• ts12

  9dc94583 · Better name and structure · Oct 25, 2019
• ts09

  cabfcc4c · Read vdW correction parameters · Oct 21, 2019
• dos

  a1cd75f3 · Let DOS work also with two Fermi levels. · Oct 18, 2019
• hbonds

  df5f1883 · first work on hydrogen bond selection · Sep 28, 2018
• placzeck_error

  c20ace76 · Use approximation string as intented. · Sep 05, 2018
• bonds

  b653ba78 · Bond files · Nov 30, 2017
• py23vib

  0c73b9ee · pickle is not needed anymore · Oct 13, 2017
• castep

  1f5e1044 · Merge from trunk · Sep 04, 2015