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#ifdef __C |
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#ifndef TYPES_ATOMTYPEPROPERTIES_H |
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#define TYPES_ATOMTYPEPROPERTIES_H |
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|
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/** |
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* This header provides dual access for the AtomTypeProperties between |
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* fortran and C. NOTE: The sequence of struct components MUST match |
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* between C and Fortran and in general be packed double,int,char. |
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*/ |
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typedef struct{ |
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int ident; |
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int is_LennardJones; |
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int is_Electrostatic; |
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int is_Charge; |
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int is_Dipole; |
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int is_Sticky; |
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int is_GayBerne; |
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int is_EAM; |
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int is_Shape; |
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int is_FLARB; |
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} AtomTypeProperties; |
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#endif |
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#endif |
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|
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#ifdef __FORTRAN90 |
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|
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type, public :: AtomTypeProperties |
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PRIVATE |
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SEQUENCE |
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integer :: ident |
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logical :: is_LennardJones |
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logical :: is_Electrostatic |
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logical :: is_Charge |
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logical :: is_Dipole |
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logical :: is_Sticky |
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logical :: is_GayBerne |
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logical :: is_EAM |
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logical :: is_Shape |
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logical :: is_FLARB |
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end type AtomTypeProperties |
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#endif |
