orca-helpers merge requestshttps://gitlab.gwdg.de/orca-helpers/orca-helpers/-/merge_requests2022-01-14T13:05:21Zhttps://gitlab.gwdg.de/orca-helpers/orca-helpers/-/merge_requests/7Update orca_helpers/gbw_files/create_cube/README.md2022-01-14T13:05:21Zn.spillerUpdate orca_helpers/gbw_files/create_cube/README.mdhttps://gitlab.gwdg.de/orca-helpers/orca-helpers/-/merge_requests/6Loew active orbs2021-07-13T10:02:11Zn.spillerLoew active orbsoptionally give active orbital range with --suggest and active orbitals will be compared with the current selection for largest orbital contributionsoptionally give active orbital range with --suggest and active orbitals will be compared with the current selection for largest orbital contributionshttps://gitlab.gwdg.de/orca-helpers/orca-helpers/-/merge_requests/5Cube list support2021-04-29T15:28:14ZbfloeseCube list supportSupport range of orbitals in 'create_cube.py' so if consecutive ones are to be plotted they don't have to be entered one by one. Also some error handling.Support range of orbitals in 'create_cube.py' so if consecutive ones are to be plotted they don't have to be entered one by one. Also some error handling.bfloesebfloesehttps://gitlab.gwdg.de/orca-helpers/orca-helpers/-/merge_requests/3Update README.md2020-09-23T13:17:06ZbfloeseUpdate README.mdhttps://gitlab.gwdg.de/orca-helpers/orca-helpers/-/merge_requests/2Update README.md2020-09-02T08:33:32ZbfloeseUpdate README.mdhttps://gitlab.gwdg.de/orca-helpers/orca-helpers/-/merge_requests/1pdbman2020-08-20T12:53:25ZbfloesepdbmanAdd pdbman script for analyzing and editing PDB files to use as input for Orca QMMMAdd pdbman script for analyzing and editing PDB files to use as input for Orca QMMM