| /dports/science/libgridxc/libgridxc-libgridxc-0.9.6/Testers/ |
| H A D | test6.f90 | 100 epsx1, epsc1, dEXdD, dECdD, dEXdGD, dECdGD )
117 epsx0, epsc0, dEXdD, dECdD, dVxdD, dVcdD )
119 epsx1, epsc1, dEXdD, dECdD, dEXdGD, dECdGD )
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| /dports/science/siesta/siesta-4.1.5/Src/SiestaXC/Testers/ |
| H A D | test6.f90 | 100 epsx1, epsc1, dEXdD, dECdD, dEXdGD, dECdGD )
117 epsx0, epsc0, dEXdD, dECdD, dVxdD, dVcdD )
119 epsx1, epsc1, dEXdD, dECdD, dEXdGD, dECdGD )
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| /dports/science/libgridxc/libgridxc-libgridxc-0.9.6/src/ |
| H A D | vdwxc.F90 | 1449 dEXdD, dECdD, dEXdGD, dECdGD ) argument
1463 real(dp),intent(out):: dECdD(nSpin) ! dEc/dDens, Ec=Int(dens*epsC) local
1475 dECdD = 0
1488 dEdDaux, dECdD, dVXdD, dVCdD )
1495 dEdDaux, dECdD, dVXdD, dVCdD )
1501 dEdDaux, dECdD, dVXdD, dVCdD )
1507 dEdDaux, dECdD, dVXdD, dVCdD )
1513 dEdDaux, dECdD, dVXdD, dVCdD )
1520 dEdDaux, dECdD, dEdGDaux, dECdGD )
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| H A D | ggaxc.F90 | 93 EPSX, EPSC, dEXdD, dECdD, dEXdGD, dECdGD & argument
120 real(dp),intent(out):: dECdD(nSpin) ! dEc/dDens
428 dECdD(is) = sum( dECdDD(:) * dDDdD(:,is) ) &
441 dECdD(3:4) = dECdD(3:4) / 2
448 dECdD(1:nSpin) = dECdDD(1:nSpin)
458 EX, EC, dEXdD, dECdD, dEXdGD, dECdGD ) argument
513 real(dp),intent(out):: dECdD(nSpin) ! dEc/dDens local
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| /dports/science/siesta/siesta-4.1.5/Src/SiestaXC/ |
| H A D | vdwxc.F90 | 1445 dEXdD, dECdD, dEXdGD, dECdGD ) argument
1459 real(dp),intent(out):: dECdD(nSpin) ! dEc/dDens, Ec=Int(dens*epsC) local
1471 dECdD = 0
1484 dEdDaux, dECdD, dVXdD, dVCdD )
1491 dEdDaux, dECdD, dVXdD, dVCdD )
1497 dEdDaux, dECdD, dVXdD, dVCdD )
1503 dEdDaux, dECdD, dVXdD, dVCdD )
1509 dEdDaux, dECdD, dVXdD, dVCdD )
1516 dEdDaux, dECdD, dEdGDaux, dECdGD )
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| H A D | ggaxc.f | 86 . EPSX, EPSC, dEXdD, dECdD, dEXdGD, dECdGD )
109 real(dp),intent(out):: dECdD(nSpin) ! dEc/dDens
350 dECdD(is) = sum( dECdDD(:) * dDDdD(:,is) )
363 dECdD(3:4) = dECdD(3:4) / 2
370 dECdD(1:nSpin) = dECdDD(1:nSpin)
380 . EX, EC, dEXdD, dECdD, dEXdGD, dECdGD )
437 real(dp),intent(out):: dECdD(nSpin) ! dEc/dDens
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