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  • tests/Python/AllActions/options.dat

    r5f7b95 r0ea063  
    4242change-element  "1"
    4343change-molname  "water"
    44 convex-envelope "50."
    4544convex-file     "convexfile"
    4645copy-molecule   "0"
     
    6362DoCyclesFull    "0"
    6463DoLongrange     "0"
    65 DoOutputEveryStep       "0"
    6664DoPrintDebug    "0"
    6765DoRotate        "0"
     
    10199mesh-size       "10,10,10"
    102100min-distance    "1."
    103 mirror-atoms    "1.,1.,1."
    104101molecule-by-id  "0"
    105102near-field-cells        "3"
     
    133130parser-parameters       "psi3"
    134131periodic        "0"
    135 plane-offset    "5."
    136132position        "0 0 0"
    137133position        "0 0 1"
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