cyllab/ccinput

Issues

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

  #15 opened 2 years ago by zarkoivkovicc
  1

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

  #13 opened 2 years ago by RaphaelRobidas
  0

• Q-Chem input generator

  #3 opened 2 years ago by berquist
  1

• Support TD-DFT calculations in ORCA

  #7 opened 2 years ago by RaphaelRobidas
  0

• Support for IRC calculations

  #6 opened 2 years ago by RaphaelRobidas
  0

• Counterpoise correction calculations Gaussian

  #4 opened 2 years ago by zarkoivkovicc
  2

• Add the "TSFREQ" calculation type

  #2 opened 2 years ago by RaphaelRobidas
  0

• Custom basis set syntax

  #1 opened 3 years ago by LaTruelle
  1