SINGROUP/pycp2k

Issues

• Motion model can't be called

  #22 opened 5 months ago by well-zt
  1

• json/yaml support

  #21 opened 2 years ago by PythonFZ
  1

• License clarification: Wrong license in setup.py and on pypi

  #20 opened 2 years ago by timostrunk
  0

• Long lines in input files

  #13 opened 2 years ago by ondrejkrejci
  5

• Exception for Empty Keywords

  #18 opened 2 years ago by waveman68
  1

• problem in manual install from cp2k 8.2 xml file

  #15 opened 2 years ago by setten
  4

• problems with exchange correlation functional classes in 8.2

  #16 opened 2 years ago by setten
  2

• xTB parameter in DFT.QS section

  #12 opened 2 years ago by xiki-tempula
  2

• Support reading molecule through MDAnalysis?

  #11 opened 4 years ago by xiki-tempula
  2

• CalledProcessError: Command 'cp2k.popt -v ' returned non-zero exit status 127.

  #9 opened 4 years ago by Ruskinkot1
  1

• Additional FORCE_EVAL parameters not being added to the input

  #10 opened 4 years ago by SamTov
  2

• I have three problems that need your help urgently!!!!!

  #7 opened 4 years ago by Greenlobby
  2

• How to use parse?

  #8 opened 5 years ago by Greenlobby
  2

• Pls help!!! what is wrong with pycp2k run

  #6 opened 5 years ago by Greenlobby
  2

• Multiple Basis Set File Names

  #4 opened 6 years ago by cpashartis
  5

• Suggestion for syntax check

  #2 opened 8 years ago by burbanom
  1

• get_forces() function

  #1 opened 8 years ago by burbanom
  2