biklooost/PROPhet

Issues

• vasprun.xml load error

  #22 opened 7 months ago
  0

• Can we change the number of data for traning and prediction from (250, 50) to some other numbers ?

  #21 opened 3 years ago
  0

• What kind of error "‘class LAMMPS_NS::Force’ has no member named ‘numeric’" in compiling amp_compatible branch with gcc?

  #20 opened 4 years ago
  0

• LAMMPs 'hybrid/overlay' cannot use PROPhet potential

  #19 opened 4 years ago
  0

• Problem of linking PROPhet to LAMMPS-18Sep20

  #18 opened 4 years ago
  0

• Not reproducing the same data

  #17 opened 5 years ago
  0

• Problem of linking PROPhet to LAMMPS-16Mar18

  #16 opened 5 years ago
  1

• Segmentation fault (11) when running lammps

  #15 opened 6 years ago
  0

• Error in calculating p values

  #14 opened 6 years ago
  0

• gvectors printing fails

  #13 opened 7 years ago
  0

• Minor errors in the documentation

  #12 opened 7 years ago
  1

• docs feature request: sample input files for other codes

  #5 opened 7 years ago
  1

• documentation's tutorial results differ

  #4 opened 7 years ago
  1

• About checkpoint file header structure

  #3 opened 7 years ago
  1

• link with lammps

  #2 opened 7 years ago
  1

• LAMMPS fail with the potential from PROPhet

  #1 opened 7 years ago
  4