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Searched defs:ivib (Results 1 – 13 of 13) sorted by relevance

/dports/science/sparta/sparta-20Oct2021/src/
H A Dfix_vibmode.cpp123 int ivib; in update_custom() local
H A Dsurf_collide_impulsive.cpp384 int ivib = evib_val / (update->boltz*vibtemp[0]); in impulsive() local
396 int ivib = evib_val / (update->boltz*tot_temp); in impulsive() local
H A Dsurf_collide_cll.cpp406 int ivib = evib_val / (update->boltz*species[ispecies].vibtemp[0]); in cll() local
H A Dcollide_vss.cpp430 int i,rotdof,vibdof,max_level,ivib,irot; in EEXCHANGE_NonReactingEDisposal() local
637 int i,numspecies,rotdof,vibdof,max_level,ivib,irot; in EEXCHANGE_ReactingEDisposal() local
H A Dparticle.cpp1059 int ivib = -log(erandom->uniform()) * temp_thermal / in evib() local
/dports/science/nwchem-data/nwchem-7.0.2-release/src/leps/
H A Dmc_init.F15 integer natom,geom, i,k,l, ivib, gseed,mode local
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/leps/
H A Dmc_init.F15 integer natom,geom, i,k,l, ivib, gseed,mode local
/dports/science/sparta/sparta-20Oct2021/src/KOKKOS/
H A Dparticle_kokkos.h273 int ivib = static_cast<int> (-log(erandom.drand()) * temp_thermal / in evib() local
H A Dcollide_vss_kokkos.cpp1033 int i,rotdof,vibdof,max_level,ivib; in EEXCHANGE_NonReactingEDisposal() local
1242 int i,numspecies,rotdof,vibdof,max_level,ivib; in EEXCHANGE_ReactingEDisposal() local
/dports/science/tinker/tinker/source/
H A Dvibbig.f1896 subroutine prtvib (ivib,r) argument
1901 integer ivib,ixyz local
/dports/science/jmol/jmol-14.32.7/src/org/jmol/viewer/
H A DStateCreator.java373 int ivib; in getModelState() local
/dports/science/luscus/luscus_0.8.6/
H A Dgv.h430 int ivib; /*current vibration mode*/ variable
H A Dgv.h.in426 int ivib; /*current vibration mode*/ variable