Issues

• PBEh-3c as unknown functional casues basis set not to be parsed (software gaussian)

  bug
  cyllab/ccinput#15 · Filter by author zarkoivkovicc opened on Jul 1, 2023
  1

• Fix the use of the basis set LANL2DZ with heavy atoms in ORCA

  buggood first issue
  cyllab/ccinput#13 · Filter by author RaphaelRobidas opened on Jun 23, 2023

• Support TD-DFT calculations in ORCA

  enhancement
  cyllab/ccinput#7 · Filter by author RaphaelRobidas opened on Mar 26, 2023

• Support for IRC calculations

  enhancementgood first issue
  cyllab/ccinput#6 · Filter by author RaphaelRobidas opened on Mar 26, 2023

• Add the "TSFREQ" calculation type

  good first issue
  cyllab/ccinput#2 · Filter by author RaphaelRobidas opened on Feb 12, 2023