ZimmermanGroup/molecularGSM

Issues

• Possible bug in gsm with ORCA

  #37 opened a year ago
  0

• restoring final TS search option

  #35 opened a year ago
  0

• Unresolved issues from #33

  #34 opened 2 years ago
  0

• Problems building molecularGSM in Apple Silicon (M2)

  #32 opened 2 years ago
  2

• some problems in parallel execuation with Q-chem

  #31 opened 2 years ago
  0

• Installation instructions - TriBITS

  #29 opened 2 years ago
  1

• CMake requires Doxygen installed

  #27 opened 2 years ago
  5

• Energy unit in stringfile.xyz0001

  #22 opened 3 years ago
  1

• Problems creating executable

  #20 opened 2 years ago
  4

• Diels example not working

  #19 opened 2 years ago
  3

• Patches for recent Intel/GCC compiler

  #18 opened 3 years ago
  0

• Cmake tries to pull in tests that don't exist

  #17 opened 3 years ago
  0

• Compilation problem: trouble with MKL path (?)

  #16 opened 4 years ago
  4

• Geometric Constraints

  #8 opened 6 years ago
  1

• Davidson calculations

  #7 opened 6 years ago
  4

• SE-GSM bonding changes and applying forces

  #6 opened 6 years ago
  6

• Templates for DE-GSM

  #5 opened 6 years ago
  6

• Cmake Error

  #4 opened 6 years ago
  1