openmopac/mopac

Issues

• Expand test coverage

  #65 opened 2 years ago
  6

• Concurrency issue in tests

  #64 opened 2 years ago
  2

• LOCATE-TS problems on simple examples

  #60 opened 2 years ago
  1

• IRC / DRC Segfault

  #54 opened 2 years ago
  23

• interface integration

  #48 opened 2 years ago
  1

• Typo LAMDA --> LAMBDA

  #47 opened 2 years ago
  2

• LOCATE-TS run

  #45 opened 2 years ago
  3

• Broken mopac-win

  #44 opened a year ago
  1

• Charge indicators on atom names seem to have no effect.

  #40 opened 3 years ago
  5

• Erroneous TER records with PDBOUT and other bugs with GEO_REF="SELF"

  #39 opened 2 years ago
  8

• Rewriting the code in C instead of using fortran

  #38 opened 3 years ago
  1

• THREADS keyword is deactivated

  #37 opened 2 years ago
  3

• Restrictive size limitations of COSMO calculations

  #36 opened 2 years ago
  4

• CMake error when compiling on linux

  #34 opened 3 years ago
  5

• Support for SLURM?

  #33 opened 3 years ago
  10

• GPU support?

  #32 opened 3 years ago
  12

• Intermittent stalling in key-ROOT test

  #31 opened 2 years ago
  1

• Potential memory overflows

  #28 opened 3 years ago
  1

• Extraneous files installed

  #26 opened 3 years ago
  1

• Wrong install location for the library

  #25 opened 3 years ago
  0

• Naming of binaries

  #24 opened 3 years ago
  1

• Linux executable fails.

  #19 opened 3 years ago
  2

• conda release

  #18 opened 2 years ago
  4

• Question: What are the units in the COSWRT

  #16 opened 3 years ago
  2

• Library naming

  #12 opened 3 years ago
  3

• add topic quantum-chemistry

  #9 opened 3 years ago
  1

• Portability problems in orient_water.F90

  #8 opened 2 years ago
  1

• Add soversion

  #7 opened 3 years ago
  1

• Test failures

  #5 opened 3 years ago
  6

• Link error

  #3 opened 3 years ago
  2

• MOPAC Version flag

  #2 opened 3 years ago
  1

• Compilation with gfortran

  #1 opened 5 years ago
  0