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#ifdef __C |
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#ifndef __FINTERACTIONMAP |
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#define __FINTERACTIONMAP |
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|
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#define LJ_PAIR 1 |
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#define ELECTROSTATIC_PAIR 2 |
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#define STICKY_PAIR 4 |
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#define STICKYPOWER_PAIR 8 |
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#define GB_PAIR 16 |
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#define GB_LJ 32 |
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#define EAM_PAIR 64 |
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#define SHAPE_PAIR 128 |
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#define SHAPE_LJ 256 |
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#define FLARB_PAIR 512 |
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#define SC_PAIR 1024 |
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#define MEAM_PAIR 2048 |
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#define LR_POT_TYPES 4 |
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#define VDW_POT 0 |
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#define ELECTROSTATIC_POT 1 |
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#define HB_POT 2 |
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#define METALLIC_POT 3 |
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#endif |
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#endif /*__C*/ |
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#ifdef __FORTRAN90 |
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|
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INTEGER, PARAMETER:: LJ_PAIR = 1 |
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INTEGER, PARAMETER:: ELECTROSTATIC_PAIR = 2 |
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INTEGER, PARAMETER:: STICKY_PAIR = 4 |
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INTEGER, PARAMETER:: STICKYPOWER_PAIR = 8 |
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INTEGER, PARAMETER:: GAYBERNE_PAIR = 16 |
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INTEGER, PARAMETER:: GAYBERNE_LJ = 32 |
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INTEGER, PARAMETER:: EAM_PAIR = 64 |
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INTEGER, PARAMETER:: SHAPE_PAIR = 128 |
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INTEGER, PARAMETER:: SHAPE_LJ = 256 |
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INTEGER, PARAMETER:: FLARB_PAIR = 512 |
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INTEGER ,PARAMETER:: SC_PAIR = 1024 |
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INTEGER ,PARAMETER:: MEAM_PAIR = 2048 |
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INTEGER, PARAMETER:: LR_POT_TYPES = 4 |
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!! remember fortran is shifted up by one for arrays |
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INTEGER, PARAMETER:: VDW_POT = 1 |
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INTEGER, PARAMETER:: ELECTROSTATIC_POT = 2 |
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INTEGER, PARAMETER:: HB_POT = 3 |
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INTEGER, PARAMETER:: METALLIC_POT = 4 |
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#endif |
