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#ifdef __OOPSE_C |
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#ifdef __OPENMD_C |
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#ifndef __FSIMULATION |
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typedef struct{ |
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int SIM_uses_PBC; |
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int SIM_uses_DirectionalAtoms; |
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int SIM_uses_LennardJones; |
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int SIM_uses_Electrostatics; |
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int SIM_uses_Charges; |
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int SIM_uses_Dipoles; |
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int SIM_uses_Sticky; |
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int SIM_uses_StickyPower; |
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int SIM_uses_GayBerne; |
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int SIM_uses_EAM; |
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int SIM_uses_Shapes; |
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int SIM_uses_FLARB; |
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int SIM_uses_RF; |
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int SIM_uses_SF; |
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int SIM_uses_SP; |
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int SIM_uses_SC; |
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int SIM_uses_MNM; |
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int SIM_uses_BoxDipole; |
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int SIM_uses_MetallicAtoms; |
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int SIM_uses_AtomicVirial; |
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int SIM_requires_SkipCorrection; |
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int SIM_requires_SelfCorrection; |
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} simtype; |
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#endif /*__FSIMULATION*/ |
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#endif /*__OOPSE_C*/ |
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#endif /*__OPENMD_C*/ |
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#ifdef __FORTRAN90 |
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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_StickyPower |
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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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logical :: SIM_uses_SF |
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logical :: SIM_uses_SP |
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logical :: SIM_uses_SC |
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logical :: SIM_uses_MNM |
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logical :: SIM_uses_BoxDipole |
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logical :: SIM_uses_MetallicAtoms |
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logical :: SIM_uses_AtomicVirial |
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logical :: SIM_requires_SkipCorrection |
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logical :: SIM_requires_SelfCorrection |
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end type simtype |
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#endif |