qcscine/autocas

Issues

• Container image for autocas use?

  #13 opened 2 months ago by leforesb
  1

• consistent_active_orbital_spaces.py can not run correctly

  #11 opened 5 months ago by wangdu817
  8

• Using a localized basis

  #12 opened 6 months ago by JuleH21
  4

• Regarding DMRG

  #10 opened 10 months ago by Kalpa08
  1

• some questions about the autocas test of benzene

  #9 opened 10 months ago by histhinking
  1

• How to fix the index error (IndexError: too many indices for array)

  #8 opened a year ago by histhinking
  6

• no idea about how to run autocas correctly

  #6 opened a year ago by histhinking
  5

• Performance of autocas

  #7 opened a year ago by LeonardoBarneschi
  3

• ValueError: max() arg is an empty sequence

  #5 opened a year ago by maartensandbox
  3

• Problems with installing on M2 MacBook Air with MacOS Ventura

  #4 opened 2 years ago by ErnDLar
  5

• ECPs

  #2 opened 2 years ago by chburger
  1

• environment variables not read

  #1 opened 2 years ago by chburger
  1