%module NonbondedCutoffSystemForce %{ #include "../topology/PeriodicBoundaryConditions.h" #include "../topology/VacuumBoundaryConditions.h" #include "../topology/CubicCellManager.h" #include "../topology/C1SwitchingFunction.h" #include "../topology/C2SwitchingFunction.h" #include "../topology/ShiftSwitchingFunction.h" #include "../topology/CutoffSwitchingFunction.h" #include "../topology/CnSwitchingFunction.h" #include "../topology/CmpCnCnSwitchingFunction.h" #include "../topology/UniversalSwitchingFunction.h" #include "OneAtomPair.h" #include "OneAtomPairTwo.h" #include "CoulombForce.h" #include "CoulombForceDiElec.h" #include "CoulombSCPISMForce.h" #include "CoulombBornRadiiForce.h" #include "LennardJonesForce.h" #include "LennardJonesTableForce.h" #include "MagneticDipoleForce.h" #include "CoulombMultiGridDirectTableForce.h" #include "CoulombMultiGridDirectForce.h" #include "CoulombEwaldRealTableForce.h" #include "CoulombEwaldRealForce.h" #include "CoulombTableForce.h" #include "NonbondedCutoffSystemForce.h" #include "NonbondedCutoffBornForce.h" void setSwitchonCEP(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn) { ljsf->myOneAtomPair.switchingFunction.setSwitchon(sn); return; } void setSwitchonCCP(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn) { ljsf->myOneAtomPair.switchingFunction.setSwitchon(sn); return; } void setSwitchonCLP(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn) { ljsf->myOneAtomPair.switchingFunction.setSwitchon(sn); return; } void setSwitchonCLPPC2C1(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn1) { ljsf->myOneAtomPair.switchingFunctionFirst.setSwitchon(sn1); return; } void setSwitchonCLPPC2Shift(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn1) { ljsf->myOneAtomPair.switchingFunctionFirst.setSwitchon(sn1); return; } void setSwitchonCLPPC2Cutoff(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn1) { ljsf->myOneAtomPair.switchingFunctionFirst.setSwitchon(sn1); return; } void setSwitchonCLVPC2C1(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn1) { ljsf->myOneAtomPair.switchingFunctionFirst.setSwitchon(sn1); return; } void setSwitchonCLVPC2Shift(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn1) { ljsf->myOneAtomPair.switchingFunctionFirst.setSwitchon(sn1); return; } void setSwitchonCLVPC2Cutoff(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn1) { ljsf->myOneAtomPair.switchingFunctionFirst.setSwitchon(sn1); return; } //******************************************** // VACUUM //******************************************** void setSwitchonCEV(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn) { ljsf->myOneAtomPair.switchingFunction.setSwitchon(sn); return; } void setSwitchonCCV(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn) { ljsf->myOneAtomPair.switchingFunction.setSwitchon(sn); return; } void setSwitchonCLV(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn) { ljsf->myOneAtomPair.switchingFunction.setSwitchon(sn); return; } %} %include "std_vector.i" %template() std::vector; %include "../base/Real.h" %include "../base/Proxy.h" %include "../base/Vector3D.h" %include "../base/AbstractEnumType.h" %include "../base/simpleTypes.h" %include "../base/ConstraintValueType.h" %include "../base/ValueType.h" %include "../base/Value.h" %include "../base/Parameter.h" %include "../base/Vector3DBlock.h" %include "../base/MakeableDefinition.h" %include "../base/Makeable.h" %include "../topology/CellListEnumerator_periodicBoundaries.h" %include "Force.h" %include "SystemForce.h" %include "NonbondedCutoffForce.h" %include "NonbondedCutoffSystemForce.h" %include "NonbondedCutoffBornForce.h" //****************************** // TEMPLATES //****************************** %template(NCF_CCM_OAPPBC_C1SF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPPBC_C2SF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPPBC_CSF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPPBC_SSF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPPBC_C1SF_LJF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NSF_CCM_OAPPBC_C2SF_LJF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPPBC_CSF_LJF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPPBC_SSF_LJF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTPBC_C2SF_LJF_C1SF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTPBC_C2SF_LJF_SSF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTPBC_C2SF_LJF_CSF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTPBC_C1SF_LJF_SSF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTPBC_C1SF_LJF_CSF_CERF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTPBC_C1SF_LJF_CSF_CERTF) ProtoMol::NonbondedCutoffForce >,ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_C2SF_LJF_CSF_CERF) ProtoMol::NonbondedCutoffForce,ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTPBC_C2SF_LJF_CSF_CERTF) ProtoMol::NonbondedCutoffForce >,ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_C1SF_LJF_CSF_CMGDFCFC1) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_C2SF_LJF_CSF_CMGDFCFC1) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_C1SF_LJF_CSF_CMGDFCFC2) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_C2SF_LJF_CSF_CMGDFCFC2) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_C1SF_LJF_CSF_CMGDFCFC3) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_C2SF_LJF_CSF_CMGDFCFC3) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_C1SF_LJF_CSF_CMGDFCFC4) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_C2SF_LJF_CSF_CMGDFCFC4) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_C1SF_LJF_CSF_CMGDTFCFC1) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_C2SF_LJF_CSF_CMGDTFCFC1) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_C1SF_LJF_CSF_CMGDTFCFC2) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_C2SF_LJF_CSF_CMGDTFCFC2) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_C1SF_LJF_CSF_CMGDTFCFC3) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_C2SF_LJF_CSF_CMGDTFCFC3) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_C1SF_LJF_CSF_CMGDTFCFC4) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_C2SF_LJF_CSF_CMGDTFCFC4) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CSF_LJF_CSF_CERTF) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CSF_LJF_CSF_CERF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPPBC_C1SF_MDF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_C1SF_CSCPF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_C2SF_CSCPF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_CNSF_CSCPF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_CCNSF_CSCPF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_CSF_CSCPF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_SSF_CSCPF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_C1SF_CBF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffBornForce > >; %template(NCF_CCM_OAPVBC_C2SF_CBF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffBornForce > >; %template(NCF_CCM_OAPVBC_CNSF_CBF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffBornForce > >; %template(NCF_CCM_OAPVBC_CCNSF_CBF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffBornForce > >; %template(NCF_CCM_OAPVBC_CSF_CBF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffBornForce > >; %template(NCF_CCM_OAPVBC_SSF_CBF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffBornForce > >; %template(NCF_CCM_OAPVBC_C1SF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_C2SF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_CSF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_SSF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_C1SF_LJF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NSF_CCM_OAPVBC_C2SF_LJF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_CSF_LJF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_SSF_LJF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTVBC_C2SF_LJF_C1SF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTVBC_C2SF_LJF_SSF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTVBC_C2SF_LJF_CSF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTVBC_C1SF_LJF_SSF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTVBC_C1SF_LJF_CSF_CERF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTVBC_C1SF_LJF_CSF_CERTF) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_C2SF_LJF_CSF_CERF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTVBC_C2SF_LJF_CSF_CERTF) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_C1SF_LJF_CSF_CMGDFCFC1) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_C2SF_LJF_CSF_CMGDFCFC1) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_C1SF_LJF_CSF_CMGDFCFC2) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_C2SF_LJF_CSF_CMGDFCFC2) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_C1SF_LJF_CSF_CMGDFCFC3) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_C2SF_LJF_CSF_CMGDFCFC3) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_C1SF_LJF_CSF_CMGDFCFC4) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_C2SF_LJF_CSF_CMGDFCFC4) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_C1SF_LJF_CSF_CMGDTFCFC1) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_C2SF_LJF_CSF_CMGDTFCFC1) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_C1SF_LJF_CSF_CMGDTFCFC2) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_C2SF_LJF_CSF_CMGDTFCFC2) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_C1SF_LJF_CSF_CMGDTFCFC3) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_C2SF_LJF_CSF_CMGDTFCFC3) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_C1SF_LJF_CSF_CMGDTFCFC4) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_C2SF_LJF_CSF_CMGDTFCFC4) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CSF_LJF_CSF_CERTF) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CSF_LJF_CSF_CERF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_C1SF_MDF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; //****************************** // SYSTEM FORCES //****************************** %template(NCSF_CCM_OAPPBC_C1SF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPPBC_C2SF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPPBC_CSF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPPBC_SSF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPPBC_C1SF_LJF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPPBC_C2SF_LJF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPPBC_CSF_LJF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPPBC_SSF_LJF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTPBC_C2SF_LJF_C1SF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTPBC_C2SF_LJF_SSF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTPBC_C2SF_LJF_CSF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTPBC_C1SF_LJF_SSF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTPBC_C1SF_LJF_CSF_CERF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTPBC_C1SF_LJF_CSF_CERTF) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_C2SF_LJF_CSF_CERF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTPBC_C2SF_LJF_CSF_CERTF) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_C1SF_LJF_CSF_CMGDFCFC1) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_C2SF_LJF_CSF_CMGDFCFC1) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_C1SF_LJF_CSF_CMGDFCFC2) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_C2SF_LJF_CSF_CMGDFCFC2) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_C1SF_LJF_CSF_CMGDFCFC3) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_C2SF_LJF_CSF_CMGDFCFC3) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_C1SF_LJF_CSF_CMGDFCFC4) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_C2SF_LJF_CSF_CMGDFCFC4) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_C1SF_LJF_CSF_CMGDTFCFC1) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_C2SF_LJF_CSF_CMGDTFCFC1) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_C1SF_LJF_CSF_CMGDTFCFC2) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_C2SF_LJF_CSF_CMGDTFCFC2) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_C1SF_LJF_CSF_CMGDTFCFC3) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_C2SF_LJF_CSF_CMGDTFCFC3) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_C1SF_LJF_CSF_CMGDTFCFC4) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_C2SF_LJF_CSF_CMGDTFCFC4) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CSF_LJF_CSF_CERTF) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CSF_LJF_CSF_CERF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPPBC_C1SF_MDF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_C1SF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_C2SF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_CSF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_SSF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_C1SF_LJF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_C2SF_LJF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_CSF_LJF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_SSF_LJF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTVBC_C2SF_LJF_C1SF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTVBC_C2SF_LJF_CSF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTVBC_C2SF_LJF_SSF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTVBC_C1SF_LJF_SSF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTVBC_C1SF_LJF_CSF_CERF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTVBC_C1SF_LJF_CSF_CERTF) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_C2SF_LJF_CSF_CERF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTVBC_C2SF_LJF_CSF_CERTF) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_C1SF_LJF_CSF_CMGDFCFC1) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_C2SF_LJF_CSF_CMGDFCFC1) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_C1SF_LJF_CSF_CMGDFCFC2) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_C2SF_LJF_CSF_CMGDFCFC2) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_C1SF_LJF_CSF_CMGDFCFC3) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_C2SF_LJF_CSF_CMGDFCFC3) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_C1SF_LJF_CSF_CMGDFCFC4) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_C2SF_LJF_CSF_CMGDFCFC4) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_C1SF_LJF_CSF_CMGDTFCFC1) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_C2SF_LJF_CSF_CMGDTFCFC1) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_C1SF_LJF_CSF_CMGDTFCFC2) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_C2SF_LJF_CSF_CMGDTFCFC2) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_C1SF_LJF_CSF_CMGDTFCFC3) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_C2SF_LJF_CSF_CMGDTFCFC3) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_C1SF_LJF_CSF_CMGDTFCFC4) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_C2SF_LJF_CSF_CMGDTFCFC4) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CSF_LJF_CSF_CERTF) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CSF_LJF_CSF_CERF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_C1SF_MDF) ProtoMol::NonbondedCutoffSystemForce >; // DIELEC %template(NCF_CCM_OAPPBC_CNSF_CFDE) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_C1SF_CFDE) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_C2SF_CFDE) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_CNSF_CFDE) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_CMPCNNSF_CFDE) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_CSF_CFDE) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_SSF_CFDE) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; // SCPISM %template(NCSF_CCM_OAPVBC_C1SF_CSCPF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_C2SF_CSCPF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_CNSF_CSCPF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_CCNSF_CSCPF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_CSF_CSCPF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_SSF_CSCPF) ProtoMol::NonbondedCutoffSystemForce >; // Born %template(NCBF_CCM_OAPVBC_C1SF_CBF) ProtoMol::NonbondedCutoffBornForce >; %template(NCBF_CCM_OAPVBC_C2SF_CBF) ProtoMol::NonbondedCutoffBornForce >; %template(NCBF_CCM_OAPVBC_CNSF_CBF) ProtoMol::NonbondedCutoffBornForce >; %template(NCBF_CCM_OAPVBC_CCNSF_CBF) ProtoMol::NonbondedCutoffBornForce >; %template(NCBF_CCM_OAPVBC_CSF_CBF) ProtoMol::NonbondedCutoffBornForce >; %template(NCBF_CCM_OAPVBC_SSF_CBF) ProtoMol::NonbondedCutoffBornForce >; // ************************** CN ******************************* // SYSTEM FORCES %template(NCF_CCM_OAPPBC_CNSF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPPBC_CCNCNSF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPPBC_CNSF_LJF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPPBC_CCNCNSF_LJF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPPBC_U_LJTF_CN) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPPBC_U_LJTF_CCNCN) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CN_LJF_CN_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTPBC_CN_LJF_CN_CERF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTPBC_CN_LJF_C_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTPBC_CN_LJF_C_CMGDF_C1) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CN_LJF_C_CMGDF_C2) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CN_LJF_C_CMGDF_C3) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CN_LJF_C_CMGDF_C4) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CN_LJF_C_CMGDTF_C1) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CN_LJF_C_CMGDTF_C2) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CN_LJF_C_CMGDTF_C3) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CN_LJF_C_CMGDTF_C4) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CN_LJF_SSF_C) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTPBC_CN_LJF_U_CERTF) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CCNCN_LJF_CCNCN_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTPBC_CCNCN_LJF_CCNCN_CERF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTPBC_CCNCN_LJF_C_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTPBC_CCNCN_LJF_C_CMGDF_C1) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CCNCN_LJF_C_CMGDF_C2) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CCNCN_LJF_C_CMGDF_C3) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CCNCN_LJF_C_CMGDF_C4) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CCNCN_LJF_C_CMGDTF_C1) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CCNCN_LJF_C_CMGDTF_C2) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CCNCN_LJF_C_CMGDTF_C3) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CCNCN_LJF_C_CMGDTF_C4) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_CCNCN_LJF_SSF_C) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTPBC_CCNCN_LJF_U_CERTF) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTPBC_U_LJTF_CN_U_CTF_SSF) ProtoMol::NonbondedCutoffForce,ProtoMol::UniversalSwitchingFunction,ProtoMol::CoulombTableForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce,ProtoMol::UniversalSwitchingFunction,ProtoMol::CoulombTableForce > > >; %template(NCF_CCM_OAPTPBC_U_LJTF_CCNCN_U_CERTF_CSF) ProtoMol::NonbondedCutoffForce,ProtoMol::UniversalSwitchingFunction,ProtoMol::CoulombEwaldRealTableForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce,ProtoMol::UniversalSwitchingFunction,ProtoMol::CoulombEwaldRealTableForce > > >; %template(NCF_CCM_OAPTPBC_U_LJTF_CCNCN_U_CTF_SSF) ProtoMol::NonbondedCutoffForce,ProtoMol::UniversalSwitchingFunction,ProtoMol::CoulombTableForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce,ProtoMol::UniversalSwitchingFunction,ProtoMol::CoulombTableForce > > >; %template(NCF_CCM_OAPVBC_CNSF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_CCNCNSF_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_CNSF_LJF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_CCNCNSF_LJF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPVBC_U_LJTF_CN) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPVBC_U_LJTF_CCNCN) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CN_LJF_CN_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTVBC_CN_LJF_CN_CERF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTVBC_CN_LJF_C_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTVBC_CN_LJF_C_CMGDF_C1) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CN_LJF_C_CMGDF_C2) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CN_LJF_C_CMGDF_C3) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CN_LJF_C_CMGDF_C4) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CN_LJF_C_CMGDTF_C1) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CN_LJF_C_CMGDTF_C2) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CN_LJF_C_CMGDTF_C3) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CN_LJF_C_CMGDTF_C4) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CN_LJF_SSF_C) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTVBC_CN_LJF_U_CERTF) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CCNCN_LJF_CCNCN_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTVBC_CCNCN_LJF_CCNCN_CERF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTVBC_CCNCN_LJF_C_CF) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTVBC_CCNCN_LJF_C_CMGDF_C1) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CCNCN_LJF_C_CMGDF_C2) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CCNCN_LJF_C_CMGDF_C3) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CCNCN_LJF_C_CMGDF_C4) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CCNCN_LJF_C_CMGDTF_C1) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CCNCN_LJF_C_CMGDTF_C2) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CCNCN_LJF_C_CMGDTF_C3) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CCNCN_LJF_C_CMGDTF_C4) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_CCNCN_LJF_SSF_C) ProtoMol::NonbondedCutoffForce, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > >; %template(NCF_CCM_OAPTVBC_CCNCN_LJF_U_CERTF) ProtoMol::NonbondedCutoffForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce > > >; %template(NCF_CCM_OAPTVBC_U_LJTF_CN_U_CTF_SSF) ProtoMol::NonbondedCutoffForce,ProtoMol::UniversalSwitchingFunction,ProtoMol::CoulombTableForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce,ProtoMol::UniversalSwitchingFunction,ProtoMol::CoulombTableForce > > >; %template(NCF_CCM_OAPTVBC_U_LJTF_CCNCN_U_CERTF_CSF) ProtoMol::NonbondedCutoffForce,ProtoMol::UniversalSwitchingFunction,ProtoMol::CoulombEwaldRealTableForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce,ProtoMol::UniversalSwitchingFunction,ProtoMol::CoulombEwaldRealTableForce > > >; %template(NCF_CCM_OAPTVBC_U_LJTF_CCNCN_U_CTF_SSF) ProtoMol::NonbondedCutoffForce,ProtoMol::UniversalSwitchingFunction,ProtoMol::CoulombTableForce >, ProtoMol::SystemForce, ProtoMol::NonbondedCutoffSystemForce,ProtoMol::UniversalSwitchingFunction,ProtoMol::CoulombTableForce > > >; // SYSTEM FORCES %template(NCSF_CCM_OAPPBC_CNSF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPPBC_CCNCNSF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPPBC_CNSF_LJF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPPBC_CCNCNSF_LJF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPPBC_U_LJTF_CN) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPPBC_U_LJTF_CCNCN) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CN_LJF_CN_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTPBC_CN_LJF_CN_CERF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTPBC_CN_LJF_C_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTPBC_CN_LJF_C_CMGDF_C1) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CN_LJF_C_CMGDF_C2) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CN_LJF_C_CMGDF_C3) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CN_LJF_C_CMGDF_C4) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CN_LJF_C_CMGDTF_C1) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CN_LJF_C_CMGDTF_C2) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CN_LJF_C_CMGDTF_C3) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CN_LJF_C_CMGDTF_C4) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CN_LJF_SSF_C) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTPBC_CN_LJF_U_CERTF) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CCNCN_LJF_CCNCN_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTPBC_CCNCN_LJF_CCNCN_CERF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTPBC_CCNCN_LJF_C_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTPBC_CCNCN_LJF_C_CMGDF_C1) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CCNCN_LJF_C_CMGDF_C2) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CCNCN_LJF_C_CMGDF_C3) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CCNCN_LJF_C_CMGDF_C4) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CCNCN_LJF_C_CMGDTF_C1) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CCNCN_LJF_C_CMGDTF_C2) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CCNCN_LJF_C_CMGDTF_C3) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CCNCN_LJF_C_CMGDTF_C4) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_CCNCN_LJF_SSF_C) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTPBC_CCNCN_LJF_U_CERTF) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTPBC_U_LJTF_CN_U_CTF_SSF) ProtoMol::NonbondedCutoffSystemForce,ProtoMol::UniversalSwitchingFunction,ProtoMol::CoulombTableForce > >; %template(NCSF_CCM_OAPTPBC_U_LJTF_CCNCN_U_CERTF_CSF) ProtoMol::NonbondedCutoffSystemForce,ProtoMol::UniversalSwitchingFunction,ProtoMol::CoulombEwaldRealTableForce > >; %template(NCSF_CCM_OAPTPBC_U_LJTF_CCNCN_U_CTF_SSF) ProtoMol::NonbondedCutoffSystemForce,ProtoMol::UniversalSwitchingFunction,ProtoMol::CoulombTableForce > >; %template(NCSF_CCM_OAPVBC_CNSF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_CCNCNSF_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_CNSF_LJF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_CCNCNSF_LJF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_U_LJTF_CN) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPVBC_U_LJTF_CCNCN) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CN_LJF_CN_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTVBC_CN_LJF_CN_CERF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTVBC_CN_LJF_C_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTVBC_CN_LJF_C_CMGDF_C1) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CN_LJF_C_CMGDF_C2) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CN_LJF_C_CMGDF_C3) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CN_LJF_C_CMGDF_C4) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CN_LJF_C_CMGDTF_C1) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CN_LJF_C_CMGDTF_C2) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CN_LJF_C_CMGDTF_C3) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CN_LJF_C_CMGDTF_C4) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CN_LJF_SSF_C) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTVBC_CN_LJF_U_CERTF) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CCNCN_LJF_CCNCN_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTVBC_CCNCN_LJF_CCNCN_CERF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTVBC_CCNCN_LJF_C_CF) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTVBC_CCNCN_LJF_C_CMGDF_C1) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CCNCN_LJF_C_CMGDF_C2) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CCNCN_LJF_C_CMGDF_C3) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CCNCN_LJF_C_CMGDF_C4) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CCNCN_LJF_C_CMGDTF_C1) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CCNCN_LJF_C_CMGDTF_C2) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CCNCN_LJF_C_CMGDTF_C3) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CCNCN_LJF_C_CMGDTF_C4) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_CCNCN_LJF_SSF_C) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPTVBC_CCNCN_LJF_U_CERTF) ProtoMol::NonbondedCutoffSystemForce > >; %template(NCSF_CCM_OAPTVBC_U_LJTF_CN_U_CTF_SSF) ProtoMol::NonbondedCutoffSystemForce,ProtoMol::UniversalSwitchingFunction,ProtoMol::CoulombTableForce > >; %template(NCSF_CCM_OAPTVBC_U_LJTF_CCNCN_U_CERTF_CSF) ProtoMol::NonbondedCutoffSystemForce,ProtoMol::UniversalSwitchingFunction,ProtoMol::CoulombEwaldRealTableForce > >; %template(NCSF_CCM_OAPTVBC_U_LJTF_CCNCN_U_CTF_SSF) ProtoMol::NonbondedCutoffSystemForce,ProtoMol::UniversalSwitchingFunction,ProtoMol::CoulombTableForce > >; //****************************** // DECLARATIONS //****************************** void setSwitchonCEP(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn); void setSwitchonCCP(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn); void setSwitchonCLP(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn); //******************************************** // VACUUM //******************************************** void setSwitchonCEV(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn); void setSwitchonCCV(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn); void setSwitchonCLV(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn); void setSwitchonCLPPC2C1(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn1); void setSwitchonCLPPC2Shift(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn1); void setSwitchonCLPPC2Cutoff(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn1); void setSwitchonCLVPC2C1(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn1); void setSwitchonCLVPC2Shift(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn1); void setSwitchonCLVPC2Cutoff(ProtoMol::NonbondedCutoffSystemForce >* ljsf, float sn1); %template(NCSF_CCM_OAPPBC_CNSF_CFDE) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_C1SF_CFDE) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_C2SF_CFDE) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_CNSF_CFDE) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_CMPCNNSF_CFDE) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_CSF_CFDE) ProtoMol::NonbondedCutoffSystemForce >; %template(NCSF_CCM_OAPVBC_SSF_CFDE) ProtoMol::NonbondedCutoffSystemForce >;