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#ifdef __C |
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#ifndef __FSIMULATION |
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#define __FSIMULATION |
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/** This header provides dual access for the simulation structure between |
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fortran and C for the simtype structure. NOTE: Sequence of struct |
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#ifdef __FORTRAN90 |
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type, public :: simtype |
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PRIVATE |
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SEQUENCE |
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!! Dielectric Constant for reaction field |
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real ( kind = dp ) :: dielect = 0.0_dp |
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!! Periodic Boundry Conditions |
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logical :: SIM_uses_PBC |
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logical :: SIM_uses_DirectionalAtoms |
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logical :: SIM_uses_LennardJones |
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logical :: SIM_uses_Electrostatics |
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logical :: SIM_uses_Charges |
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logical :: SIM_uses_Dipoles |
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logical :: SIM_uses_Sticky |
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logical :: SIM_uses_GayBerne |
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logical :: SIM_uses_EAM |
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logical :: SIM_uses_Shapes |
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logical :: SIM_uses_FLARB |
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logical :: SIM_uses_RF |
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end type simtype |
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type, public :: simtype |
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PRIVATE |
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SEQUENCE |
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!! Dielectric Constant for reaction field |
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real ( kind = dp ) :: dielect = 0.0_dp |
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!! Periodic Boundry Conditions |
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logical :: SIM_uses_PBC |
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logical :: SIM_uses_DirectionalAtoms |
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logical :: SIM_uses_LennardJones |
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logical :: SIM_uses_Electrostatics |
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logical :: SIM_uses_Charges |
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logical :: SIM_uses_Dipoles |
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logical :: SIM_uses_Sticky |
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logical :: SIM_uses_GayBerne |
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logical :: SIM_uses_EAM |
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logical :: SIM_uses_Shapes |
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logical :: SIM_uses_FLARB |
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logical :: SIM_uses_RF |
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end type simtype |
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#endif |
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