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Searched refs:DECDGD (Results 1 – 7 of 7) sorted by relevance

/dports/science/siesta/siesta-4.1.5/Src/
H A Dbsc_cellxc.F634 DECDGD(1:3,IS) = XCweightC(nf)*DECDGD(1:3,IS)
679 & DECDGD(IX,IS) * DGIDFJ(IX,1,IN)
690 & DECDGD(IX,IS) * DGIDFJ(IX,1,IN)
692 & DECDGD(IX,IS))*DGIDFJ(IX,1,IN) +
700 & DECDGD(IX,IS) * DGIDFJ(IX,1,IN)
713 & DECDGD(IX,IS) * DGIDFJ(IX,2,IN)
724 & DECDGD(IX,IS) * DGIDFJ(IX,2,IN)
734 & DECDGD(IX,IS) * DGIDFJ(IX,2,IN)
748 & DECDGD(IX,IS) * DGIDFJ(IX,3,IN)
759 & DECDGD(IX,IS) * DGIDFJ(IX,3,IN)
[all …]
/dports/science/siesta/siesta-4.1.5/Src/SiestaXC/
H A Dggaxc.f582 DECDGD(IX,IS) = DFCDGD(IX,IS)
1099 DECDGD(IX,IS) = DFCDGD(IX,IS)
1553 DECDGD(IX,IS) = DFCDGD(IX,IS)
1771 DECDGD(IX,IS) = DFCDGD(IX,IS)
1894 DECDGD(ix,is) = DFCDGD(ix,is)
2098 DECDGD(:,:) = 0
2166 DECDGD(:,:) = 0
2325 DECDGD(:,:) = 0
2538 DECDGD(:,:) = 0
2610 DECDGD(:,:) = 0
[all …]
/dports/science/libgridxc/libgridxc-libgridxc-0.9.6/src/
H A Dggaxc.F90657 DECDGD(IX,IS) = DFCDGD(IX,IS)
1156 DECDGD(IX,IS) = DFCDGD(IX,IS)
1606 DECDGD(IX,IS) = DFCDGD(IX,IS)
1820 DECDGD(IX,IS) = DFCDGD(IX,IS)
1941 DECDGD(ix,is) = DFCDGD(ix,is)
2140 DECDGD(:,:) = 0
2206 DECDGD(:,:) = 0
2362 DECDGD(:,:) = 0
2570 DECDGD(:,:) = 0
2640 DECDGD(:,:) = 0
[all …]
/dports/science/openmx/openmx3.8/source/
H A DSet_XC_Grid.c55 double DEXDGD[3][2],DECDGD[3][2]; in Set_XC_Grid() local
264 …ds,MN,tot_den,tmp0,tmp1,ED,Exc,Ec_unif,Vc_unif,Vxc,Ex_unif,Vx_unif,GDENS,DEXDD,DECDD,DEXDGD,DECDGD) in Set_XC_Grid()
499 XC_PBE(ED, GDENS, Exc, DEXDD, DECDD, DEXDGD, DECDGD); in Set_XC_Grid()
521 dEXC_dGD[0][0][MN] = DEXDGD[0][0] + DECDGD[0][0]; in Set_XC_Grid()
522 dEXC_dGD[0][1][MN] = DEXDGD[1][0] + DECDGD[1][0]; in Set_XC_Grid()
523 dEXC_dGD[0][2][MN] = DEXDGD[2][0] + DECDGD[2][0]; in Set_XC_Grid()
525 dEXC_dGD[1][0][MN] = DEXDGD[0][1] + DECDGD[0][1]; in Set_XC_Grid()
526 dEXC_dGD[1][1][MN] = DEXDGD[1][1] + DECDGD[1][1]; in Set_XC_Grid()
527 dEXC_dGD[1][2][MN] = DEXDGD[2][1] + DECDGD[2][1]; in Set_XC_Grid()
H A DXC_PBE.c36 double DEXDGD[3][2], double DECDGD[3][2]) in XC_PBE()
251 DECDGD[IX][IS] = DFCDGD[IX][IS]; in XC_PBE()
H A Dopenmx_common.h2834 double DEXDGD[3][2], double DECDGD[3][2]);
/dports/science/octopus/octopus-10.5/src/species/
H A Datomic.F90300 DEXDD(NSPIN), DEXDGD(3,NSPIN), DECDD(NSPIN), DECDGD(3,NSPIN)
460 DC = DC - DVOL * DENS(IR+IN,IS) * DECDGD(3,IS) * DGIDFJ(IN)
462 (DEXDGD(3,IS) + DECDGD(3,IS)) * DGIDFJ(IN)