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Searched defs:elecpos (Results 1 – 8 of 8) sorted by relevance

/dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/system/
H A DRing_sample.h133 Array2 <doublevar> elecpos; //electron positions variable
H A DSHO_sample.h132 Array2 <doublevar> elecpos; //electron positions variable
H A DMolecular_sample.h148 Array2 <doublevar> elecpos; //electron positions variable
H A DPeriodic_sample.h172 Array2 <doublevar> elecpos; //electron positions variable
H A DHEG_sample.h168 Array2 <doublevar> elecpos; //electron positions variable
H A DPeriodic_system.cpp802 Array2 <doublevar> elecpos(totnelectrons, 3); in calcLocWithTestPos() local
923 Array2 <doublevar> elecpos(totnelectrons, 3); in ewaldElectron() local
H A DHEG_system.cpp693 Array2 <doublevar> elecpos(totnelectrons, 3); in ewaldElectron() local
/dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/wavefunction/
H A DPfaff_wf_calc.cpp1706 Array1 <doublevar> elecpos(3); in calcLap() local
1914 Array1 <doublevar> elecpos(3); in updateLap() local