semodi/libnxc

Issues

• INPUT_DFT in QuantumEspresso

  #19 opened 2 years ago by PabloPiaggi
  0

• Travis CI Security Breach Notice

  #18 opened 3 years ago by Lnaden
  0

• Global CUDA flag if using with Libxc

  #16 opened 4 years ago by semodi
  0

• Segmentation fault if meta-GGA evaluated on GPU

  #14 opened 4 years ago by semodi
  0

• error handling in pylibxc if custom model not found

  #13 opened 4 years ago by semodi
  0

• Problems with Quantum Espresso since spin polarized option

  #12 opened 4 years ago by semodi
  0

• Polarized calculation when using with libxc

  #9 opened 4 years ago by semodi
  1

• Modelpath in pylibnxc

  #4 opened 4 years ago by semodi
  1

• Row vs. Column major order in passed arrays

  #6 opened 4 years ago by semodi
  1

• Set density cutoff externally

  #10 opened 4 years ago by semodi
  0

• memory leak

  #8 opened 4 years ago by semodi
  0

• Mixing of libxc and libnxc functionals in pylibnxc

  #7 opened 4 years ago by semodi
  0

• CUDA support for pylibnxc

  #5 opened 4 years ago by semodi
  0

• Stress correction on GPU

  #3 opened 4 years ago by semodi
  0

• Gridfunc Exc MPI_Reduce

  #2 opened 4 years ago by semodi
  0

• metainfo

  #1 opened 4 years ago by semodi
  0