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#ifdef __C |
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#ifndef __FELECTROSTATICSUMMATIONMETHOD |
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#define __FELECTROSTATICSUMMATIONMETHOD |
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|
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#define NONE 1 |
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#define SWITCHING_FUNCTION 2 |
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#define SHIFTED_POTENTIAL 3 |
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#define SHIFTED_FORCE 4 |
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#define REACTION_FIELD 5 |
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/* Ewald methods aren't supported yet */ |
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#define EWALD_FULL 6 |
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#define EWALD_PME 7 |
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#define EWALD_SPME 8 |
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|
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#endif |
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#endif /*__C*/ |
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|
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#ifdef __FORTRAN90 |
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|
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INTEGER, PARAMETER:: NONE = 1 |
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INTEGER, PARAMETER:: SWITCHING_FUNCTION = 2 |
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INTEGER, PARAMETER:: SHIFTED_POTENTIAL = 3 |
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INTEGER, PARAMETER:: SHIFTED_FORCE = 4 |
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INTEGER, PARAMETER:: REACTION_FIELD = 5 |
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INTEGER, PARAMETER:: EWALD_FULL = 6 |
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INTEGER, PARAMETER:: EWALD_PME = 7 |
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INTEGER, PARAMETER:: EWALD_SPME = 8 |
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|
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#endif |
