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Searched defs:atom2_stage (Results 1 – 10 of 10) sorted by relevance

/dports/biology/protomol/protomol/applications/iSGProtomol-app/integrators/
H A DModifierISG.cpp610 int atom2_stage = topo->atoms[topo->bonds[*iter].atom2].stageNumber; in pickNewMolecule() local
638 int atom2_stage = topo->atoms[topo->angles[*iter].atom2].stageNumber; in pickNewMolecule() local
671 int atom2_stage = topo->atoms[topo->dihedrals[*iter].atom2].stageNumber; in pickNewMolecule() local
704 int atom2_stage = topo->atoms[topo->impropers[*iter].atom2].stageNumber; in pickNewMolecule() local
866 int atom2_stage = topo->atoms[topo->bonds[*iter].atom2].stageNumber; in readXSCs() local
894 int atom2_stage = topo->atoms[topo->angles[*iter].atom2].stageNumber; in readXSCs() local
927 int atom2_stage = topo->atoms[topo->dihedrals[*iter].atom2].stageNumber; in readXSCs() local
959 int atom2_stage = topo->atoms[topo->impropers[*iter].atom2].stageNumber; in readXSCs() local
H A DiSGIntegrator.cpp650 int atom2_stage = myTopo->atoms[myTopo->bonds[*iter].atom2].stageNumber; in modifyForces() local
705 int atom2_stage = myTopo->atoms[myTopo->angles[*iter].atom2].stageNumber; in modifyForces() local
747 int atom2_stage = myTopo->atoms[myTopo->dihedrals[*iter].atom2].stageNumber; in modifyForces() local
791 int atom2_stage = myTopo->atoms[myTopo->impropers[*iter].atom2].stageNumber; in modifyForces() local
927 int atom2_stage = myTopo->atoms[myTopo->bonds[*iter].atom2].stageNumber; in checkForTransformation() local
960 int atom2_stage = myTopo->atoms[myTopo->angles[*iter].atom2].stageNumber; in checkForTransformation() local
1000 int atom2_stage = myTopo->atoms[myTopo->dihedrals[*iter].atom2].stageNumber; in checkForTransformation() local
1038 int atom2_stage = myTopo->atoms[myTopo->impropers[*iter].atom2].stageNumber; in checkForTransformation() local
/dports/biology/protomol/protomol/applications/iSGProtomol-app/forces/
H A DiSGIdealGasLennardJonesForce.h84 int atom2_stage = topo->atoms[atom2].stageNumber; in operator() local
210 int atom2_stage = topo->atoms[atom2].stageNumber; in operator() local
H A DiSGLennardJonesForce.h102 int atom2_stage = topo->atoms[atom2].stageNumber; in operator() local
389 int atom2_stage = topo->atoms[atom2].stageNumber; in operator() local
H A DiSGLennardJonesTableForce.h98 int atom2_stage = topo->atoms[atom2].stageNumber; in operator() local
401 int atom2_stage = topo->atoms[atom2].stageNumber; in operator() local
H A DiSGCoulombEwaldRealTableForce.h71 int atom2_stage = topo->atoms[atom2].stageNumber; in operator() local
H A DiSGIdealGasCoulombForce.h66 int atom2_stage = topo->atoms[atom2].stageNumber; in operator() local
H A DiSGNonbondedFullEwaldSystemForce.h913 int atom2_stage = realTopo->atoms[j].stageNumber; in realTerm() local
1457 int atom2_stage = realTopo->atoms[excl.a2].stageNumber; in correctionTerm() local
H A DiSGCoulombForce.h66 int atom2_stage = topo->atoms[atom2].stageNumber; in operator() local
H A DiSGNonbondedPMEwaldSystemForce.h1212 int atom2_stage = realTopo->atoms[excl.a2].stageNumber; in correctionTerm() local