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sci-libs/libghemical

Chemical quantum mechanics and molecular mechanics

Screenshots

  • libghemical-2.96
    ~amd64 ~ppc ~x86
    mopac7 mpqc
    View      Download      License: GPL-2
  • libghemical-2.10
    ~amd64 ~ppc ~x86
    mopac7 mpqc
    View      Download      License: GPL-2
  • libghemical-2.00
    ~amd64 ppc x86
    mopac7 mpqc
    View      Download      License: GPL-2

USE Flags

mopac7
Global: Apply compilation fix for mopac7 support.
Local: Use the MOPAC7 package for semi-empirical calculations
mpqc
Global: Use the MPQC package for quantum-mechanical calculations
Local: Use the MPQC package for quantum-mechanical calculations