rohskopf/modecode

Issues

• SI for the article "A computational framework for modeling and simulating vibrational mode dynamics"

  #17 opened 4 months ago by TangDaosheng2017
  1

• Using DeepMD lammps with ModeCode

  #16 opened 8 months ago by ZhihaoXu0313
  3

• Some problem in my installation

  #15 opened a year ago by rookie-coder99
  5

• LAMMPS installation

  #14 opened a year ago by Dexter5166
  8

• Some concerns about the anharmonic phonon transport pathways

  #13 opened a year ago by lighty23
  10

• Errors occuring when compile with lammps-30Jul2021 and lammps-23Jun2022

  #12 opened a year ago by lighty23
  2

• Memory leak when using my own input files

  #11 opened 2 years ago by ejmeitz
  7

• Which .cpp code gets run first?

  #7 opened 2 years ago by kgordiz
  4

• Memory exceeded when performing finite displacement with DeepMD potential

  #8 opened 3 years ago by swyant
  3

• Add tolerance to ifc2mcc tasks.

  #5 opened 3 years ago by rohskopf
  1

• Spatial coupling constants are only calculated between pre-defined types.

  #6 opened 3 years ago by rohskopf
  0

• INPUT file has unnecessary lines.

  #4 opened 3 years ago by rohskopf
  0

• Unnecessary inputs in fix mode

  #3 opened 3 years ago by rohskopf
  0

• Modes are only properly calculated for periodic systems.

  #2 opened 3 years ago by rohskopf
  0

• Atomic displacement calculations are not generalized for all box types in LAMMPS.

  #1 opened 3 years ago by rohskopf
  0