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Searched defs:molnum (Results 1 – 5 of 5) sorted by relevance

/dports/science/libghemical/libghemical-3.0.0/src/
H A Dsearch.h48 model * mdl; i32s molnum; variable
90 model * mdl; i32s molnum; variable
130 model * mdl; i32s molnum; variable
H A Dintcrd.h64 i32s molnum; variable
/dports/science/xtb/xtb-6.4.1/src/
H A Dzmatpr.f9018 subroutine zmatpr(nat,at,geo,na,nb,nc,molnum) argument
31 integer, intent(in) :: molnum local
/dports/science/cdk/cdk-cdk-2.3/storage/io/src/main/java/org/openscience/cdk/io/
H A DHINReader.java288 int molnum = Integer.parseInt(toks[i]); // starts from 1 in readChemFile() local
/dports/science/ghemical/ghemical-3.0.0/src/
H A Dproject.cpp3556 i32s molnum = 0; i32s in_crdset = 0; in DoEnergyPlot1D() local
3737 i32s molnum = 0; i32s in_crdset = 0; in DoEnergyPlot2D() local