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Searched refs:atom1_scaled (Results 1 – 9 of 9) sorted by relevance

/dports/biology/protomol/protomol/applications/iSGProtomol-app/forces/
H A DiSGLennardJonesTableForce.h66 bool atom1_scaled, atom2_scaled; in operator() local
67 atom1_scaled = atom2_scaled = false; in operator()
81 if (topo->molecules[M1].lambda != 0.0) {atom1_scaled = true;} in operator()
89 if ( !(atom1_scaled) && !(atom2_scaled) ) {Choice = 0;} in operator()
91 else if ( (atom1_scaled) && (atom2_scaled) ) { in operator()
109 if (atom1_scaled) { in operator()
144 if (atom1_scaled) { in operator()
186 if (atom1_scaled) { in operator()
208 if (atom1_scaled) { in operator()
256 if (atom1_scaled) i = type1B; in operator()
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H A DiSGLennardJonesForce.h74 bool atom1_scaled, atom2_scaled; in operator() local
75 atom1_scaled = atom2_scaled = false; in operator()
85 if (topo->molecules[M1].lambda != 0.0) {atom1_scaled = true;} in operator()
93 if ( !(atom1_scaled) && !(atom2_scaled) ) {Choice = 0;} in operator()
95 else if ( (atom1_scaled) && (atom2_scaled) ) { in operator()
113 if (atom1_scaled) { in operator()
149 if (atom1_scaled) { in operator()
196 if (atom1_scaled) { in operator()
224 if (atom1_scaled) { in operator()
262 if (atom1_scaled) { in operator()
H A DiSGCoulombEwaldRealTableForce.h45 bool atom1_scaled, atom2_scaled; in operator() local
46 atom1_scaled = atom2_scaled = false; in operator()
54 if (topo->molecules[M1].lambda != 0.0) {atom1_scaled = true;} in operator()
62 if ( !(atom1_scaled) && !(atom2_scaled) ) {Choice = 0;} in operator()
64 else if ( (atom1_scaled) && (atom2_scaled) ) { in operator()
82 if (atom1_scaled) { in operator()
H A DiSGIdealGasLennardJonesForce.h43 bool atom1_scaled, atom2_scaled; in operator() local
44 atom1_scaled = atom2_scaled = false; in operator()
49 if (topo->molecules[M1].lambda != 0.0) {atom1_scaled = true;} in operator()
76 if ( !(atom1_scaled) && !(atom2_scaled) ) {Choice = 0;} in operator()
78 else if ( (atom1_scaled) && (atom2_scaled) ) { in operator()
95 if (atom1_scaled) { in operator()
H A DiSGCoulombEwaldRealForce.h47 bool atom1_scaled, atom2_scaled; in operator() local
48 atom1_scaled = atom2_scaled = false; in operator()
56 if (topo->molecules[M1].lambda != 0.0) {atom1_scaled = true;} in operator()
64 if ( !(atom1_scaled) && !(atom2_scaled) ) {Choice = 0;} in operator()
66 else if ( (atom1_scaled) && (atom2_scaled) ) Choice = 2; in operator()
H A DiSGCoulombForce.h40 bool atom1_scaled, atom2_scaled; in operator() local
41 atom1_scaled = atom2_scaled = false; in operator()
49 if (topo->molecules[M1].lambda != 0.0) {atom1_scaled = true;} in operator()
57 if ( !(atom1_scaled) && !(atom2_scaled) ) {Choice = 0;} in operator()
59 else if ( (atom1_scaled) && (atom2_scaled) ) { in operator()
77 if (atom1_scaled) { in operator()
H A DiSGIdealGasCoulombForce.h40 bool atom1_scaled, atom2_scaled; in operator() local
41 atom1_scaled = atom2_scaled = false; in operator()
49 if (topo->molecules[M1].lambda != 0.0) {atom1_scaled = true;} in operator()
57 if ( !(atom1_scaled) && !(atom2_scaled) ) {Choice = 0;} in operator()
59 else if ( (atom1_scaled) && (atom2_scaled) ) { in operator()
H A DiSGNonbondedPMEwaldSystemForce.h762 bool atom1_scaled, atom2_scaled; in realTerm() local
763 atom1_scaled = atom2_scaled = false; in realTerm()
769 if (realTopo->molecules[mi].lambda != 0.0) {atom1_scaled = true;} in realTerm()
777 if ( !(atom1_scaled) && !(atom2_scaled) ) {Choice = 0;} in realTerm()
779 else if ( (atom1_scaled) && (atom2_scaled) ) Choice = 2; in realTerm()
H A DiSGNonbondedFullEwaldSystemForce.h890 bool atom1_scaled, atom2_scaled; in realTerm() local
891 atom1_scaled = atom2_scaled = false; in realTerm()
896 if (realTopo->molecules[mi].lambda != 0.0) {atom1_scaled = true;} in realTerm()
904 if ( !(atom1_scaled) && !(atom2_scaled) ) {Choice = 0;} in realTerm()
906 else if ( (atom1_scaled) && (atom2_scaled) ) { in realTerm()
924 if (atom1_scaled) { in realTerm()