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Searched refs:THRHLF (Results 1 – 6 of 6) sorted by relevance

/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/abacus/
H A Dabafsd.F596 PARAMETER (TWO = 2.00 D00, THRHLF = 1.50 D00,
686 FC(IJ+IOFF) = FC(IJ+IOFF) + THRHLF*DC(IJ)*DINT
690 FV(IJ+IOFF) = FV(IJ+IOFF) + THRHLF*DV(IJ)*DINT
701 FC(IJ+IOFF) = FC(IJ+IOFF) + THRHLF*DC(JL)*DINT
704 FC(JL+IOFF) = FC(JL+IOFF) + THRHLF*DC(IJ)*DINT
706 FV(IJ+IOFF) = FV(IJ+IOFF) + THRHLF*DV(JL)*DINT
709 FV(JL+IOFF) = FV(JL+IOFF) + THRHLF*DV(IJ)*DINT
721 FC(IJ+IOFF) = FC(IJ+IOFF) + THRHLF*DC(JL)*DINT
724 FC(JL+IOFF) = FC(JL+IOFF) + THRHLF*DC(IJ)*DINT
800 FC(IJ+IOFF) = FC(IJ+IOFF) + THRHLF*DC(JL)*DINT
[all …]
/dports/science/siesta/siesta-4.1.5/Src/SiestaXC/
H A Dldaxc.f289 . P(0:2), PI, RS, THD, THRHLF, ZETA
297 . THD=1.D0/3.D0, THRHLF=1.5D0 )
331 . BETA(IG,3) * RS**THRHLF +
335 . BETA(IG,3) * THRHLF * RS**HALF +
H A Dggaxc.f454 . T, THD, THRHLF, TWO, TWOTHD, VCUNIF(2), VXUNIF(2), ZETA
462 . THD=1.D0/3.D0, THRHLF=1.5D0,
942 . T, THD, THRHLF, TWO, TWOTHD, VCUNIF(2), VXUNIF(2), ZETA
954 . THD=1.D0/3.D0, THRHLF=1.5D0,
1405 . T, THD, THRHLF, TWO, TWOTHD, VCUNIF(2), VXUNIF(2), ZETA
1413 . THD=1.D0/3.D0, THRHLF=1.5D0,
1624 . T, THD, THRHLF, TWO, TWOTHD, VCUNIF(2), VXUNIF(2), ZETA
1632 . THD=1.D0/3.D0, THRHLF=1.5D0,
/dports/science/libgridxc/libgridxc-libgridxc-0.9.6/src/
H A Dldaxc.F90398 P(0:2), PI, RS, THD, THRHLF, ZETA local
406 THD=1.D0/3.D0, THRHLF=1.5D0 )
440 BETA(IG,3) * RS**THRHLF + &
444 BETA(IG,3) * THRHLF * RS**HALF + &
H A Dggaxc.F90529 T, THD, THRHLF, TWO, TWOTHD, VCUNIF(2), VXUNIF(2), ZETA local
537 THD=1.D0/3.D0, THRHLF=1.5D0, &
1000 T, THD, THRHLF, TWO, TWOTHD, VCUNIF(2), VXUNIF(2), ZETA local
1012 THD=1.D0/3.D0, THRHLF=1.5D0, &
1458 T, THD, THRHLF, TWO, TWOTHD, VCUNIF(2), VXUNIF(2), ZETA local
1466 THD=1.D0/3.D0, THRHLF=1.5D0, &
1674 T, THD, THRHLF, TWO, TWOTHD, VCUNIF(2), VXUNIF(2), ZETA local
1682 THD=1.D0/3.D0, THRHLF=1.5D0, &
/dports/science/openmx/openmx3.8/source/
H A DXC_PBE.c27 #define THRHLF 1.50 macro