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Searched refs:dzaehler_j (Results 1 – 10 of 10) sorted by relevance

/dports/science/xtb/xtb-6.4.1/src/disp/
H A Ddftd3.f378 real(wp) zaehler,nenner,dzaehler_i,dnenner_i,dzaehler_j,dnenner_j
391 dzaehler_j=0.d0
416 dzaehler_j=dzaehler_j+c6ref*term
426 dc6j=((dzaehler_j*nenner)-(dnenner_j*zaehler))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/DFT3-OLD/
H A Dnwpwxc_vdw3a.F2343 real*8 zaehler,nenner,dzaehler_i,dnenner_i,dzaehler_j,dnenner_j
2356 dzaehler_j=0.d0
2380 dzaehler_j=dzaehler_j+c6ref*expterm*
2392 dc6j=((dzaehler_j*nenner)-(dnenner_j*zaehler))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/
H A Dnwxc_vdw3a.F2327 real*8 zaehler,nenner,dzaehler_i,dnenner_i,dzaehler_j,dnenner_j
2340 dzaehler_j=0.d0
2364 dzaehler_j=dzaehler_j+c6ref*expterm*
2376 dc6j=((dzaehler_j*nenner)-(dnenner_j*zaehler))
H A Dnwxc_vdw3.F2344 real*8 zaehler,nenner,dzaehler_i,dnenner_i,dzaehler_j,dnenner_j
2357 dzaehler_j=0.d0
2381 dzaehler_j=dzaehler_j+c6ref*expterm*
2393 dc6j=((dzaehler_j*nenner)-(dnenner_j*zaehler))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/
H A Dnwpwxc_vdw3a.F2647 real*8 zaehler,nenner,dzaehler_i,dnenner_i,dzaehler_j,dnenner_j
2660 dzaehler_j=0.d0
2685 dzaehler_j=dzaehler_j+c6ref*term
2695 dc6j=((dzaehler_j*nenner)-(dnenner_j*zaehler))
H A Dnwpwxc_vdw3a.F.old2343 real*8 zaehler,nenner,dzaehler_i,dnenner_i,dzaehler_j,dnenner_j
2356 dzaehler_j=0.d0
2380 dzaehler_j=dzaehler_j+c6ref*expterm*
2392 dc6j=((dzaehler_j*nenner)-(dnenner_j*zaehler))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/DFT3-NEW/
H A Dnwpwxc_vdw3a.F2636 real*8 zaehler,nenner,dzaehler_i,dnenner_i,dzaehler_j,dnenner_j
2649 dzaehler_j=0.d0
2674 dzaehler_j=dzaehler_j+c6ref*term
2684 dc6j=((dzaehler_j*nenner)-(dnenner_j*zaehler))
/dports/science/octopus/octopus-10.5/external_libs/dftd3/
H A Dcore.f901424 real(wp) zaehler,nenner,dzaehler_i,dnenner_i,dzaehler_j,dnenner_j local
1437 dzaehler_j=0.d0
1462 dzaehler_j=dzaehler_j+c6ref*term
1474 dc6j=((dzaehler_j*nenner)-(dnenner_j*zaehler)) &
/dports/science/dftbplus/dftbplus-19.1/external/dftd3/origin/lib/
H A Dcore.f901391 real(wp) zaehler,nenner,dzaehler_i,dnenner_i,dzaehler_j,dnenner_j local
1402 dzaehler_j=0.d0
1426 dzaehler_j=dzaehler_j+c6ref*term
1438 dc6j=((dzaehler_j*nenner)-(dnenner_j*zaehler)) &
/dports/science/quantum-espresso/q-e-qe-6.7.0/dft-d3/
H A Dcore.f901428 real(wp) zaehler,nenner,dzaehler_i,dnenner_i,dzaehler_j,dnenner_j local
1441 dzaehler_j=0.d0
1466 dzaehler_j=dzaehler_j+c6ref*term
1478 dc6j=((dzaehler_j*nenner)-(dnenner_j*zaehler)) &