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Searched refs:dc6iji (Results 1 – 10 of 10) sorted by relevance

/dports/science/xtb/xtb-6.4.1/src/disp/
H A Ddftd3.f71 real(wp) dc6iji,dc6ijj,x1
153 & iz(iat),iz(jat),iat,jat,c6,dc6iji,dc6ijj)
166 dc6ij(iat,jat)=dc6iji
211 dc6i(iat)=dc6i(iat)+dc6_rest*dc6iji
480 real(wp) dc6iji,dc6ijj,x1
543 & iz(iat),iz(jat),iat,jat,c6,dc6iji,dc6ijj)
/dports/science/octopus/octopus-10.5/external_libs/dftd3/
H A Dcore.f90966 real(wp) dc6iji,dc6ijj local
1097 & c6,dc6iji,dc6ijj)
1150 dc6ij(iat,jat)=dc6iji
1212 & c6,dc6iji,dc6ijj)
1223 dc6ij(iat,jat)=dc6iji
3413 & c6,dc6iji,dc6ijj)
3416 dc6ij(iat,iat)=dc6iji
3516 dc6ij(iat,jat)=dc6iji
3621 & c6,dc6iji,dc6ijj)
3623 dc6ij(iat,iat)=dc6iji
[all …]
/dports/science/dftbplus/dftbplus-19.1/external/dftd3/origin/lib/
H A Dcore.f90961 real(wp) dc6iji,dc6ijj local
1091 & c6,dc6iji,dc6ijj)
1140 dc6ij(iat,jat)=dc6iji
1195 & c6,dc6iji,dc6ijj)
1205 dc6ij(iat,jat)=dc6iji
3345 & c6,dc6iji,dc6ijj)
3348 dc6ij(iat,iat)=dc6iji
3440 dc6ij(iat,jat)=dc6iji
3537 & c6,dc6iji,dc6ijj)
3539 dc6ij(iat,iat)=dc6iji
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/dft-d3/
H A Dcore.f90970 real(wp) dc6iji,dc6ijj local
1101 & c6,dc6iji,dc6ijj)
1154 dc6ij(iat,jat)=dc6iji
1216 & c6,dc6iji,dc6ijj)
1227 dc6ij(iat,jat)=dc6iji
3428 & c6,dc6iji,dc6ijj)
3431 dc6ij(iat,iat)=dc6iji
3531 dc6ij(iat,jat)=dc6iji
3636 & c6,dc6iji,dc6ijj)
3638 dc6ij(iat,iat)=dc6iji
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/nwpwxc/
H A Dnwpwxc_vdw3c.F1105 real*8 rr0ij,rr0jk,rr0ik,dc6iji,dc6ijj
1364 . c6,dc6iji,dc6ijj)
1367 dc6ij(iat,iat)=dc6iji
1466 . c6,dc6iji,dc6ijj)
1473 dc6ij(iat,jat)=dc6iji
1538 dc6i(iat)=dc6i(iat)+dc6_rest*dc6iji
1585 . c6,dc6iji,dc6ijj)
1587 dc6ij(iat,iat)=dc6iji
1664 . c6,dc6iji,dc6ijj)
1672 dc6ij(iat,jat)=dc6iji
[all …]
H A Dnwpwxc_vdw3a.patch3943 - real*8 rr0ij,rr0jk,rr0ik,dc6iji,dc6ijj
4168 - . c6,dc6iji,dc6ijj)
4171 - dc6ij(iat,iat)=dc6iji
4267 - . c6,dc6iji,dc6ijj)
4274 - dc6ij(iat,jat)=dc6iji
4338 - dc6i(iat)=dc6i(iat)+dc6_rest*dc6iji
4380 - . c6,dc6iji,dc6ijj)
4382 - dc6ij(iat,iat)=dc6iji
4458 - . c6,dc6iji,dc6ijj)
4466 - dc6ij(iat,jat)=dc6iji
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/
H A Dnwpwxc_vdw3c.F1105 real*8 rr0ij,rr0jk,rr0ik,dc6iji,dc6ijj
1364 . c6,dc6iji,dc6ijj)
1367 dc6ij(iat,iat)=dc6iji
1466 . c6,dc6iji,dc6ijj)
1473 dc6ij(iat,jat)=dc6iji
1538 dc6i(iat)=dc6i(iat)+dc6_rest*dc6iji
1585 . c6,dc6iji,dc6ijj)
1587 dc6ij(iat,iat)=dc6iji
1664 . c6,dc6iji,dc6ijj)
1672 dc6ij(iat,jat)=dc6iji
[all …]
H A Dnwpwxc_vdw3a.F2149 real*8 dc6iji,dc6ijj
2294 . c6,dc6iji,dc6ijj)
2342 dc6ij(iat,jat)=dc6iji
2355 dc6i(iat)=dc6i(iat)+dc6_rest*dc6iji
2407 . c6,dc6iji,dc6ijj)
2419 dc6ij(iat,jat)=dc6iji
2439 dc6i(iat)=dc6i(iat)+dc6_rest*dc6iji
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/DFT3-NEW/
H A Dnwpwxc_vdw3c.F1105 real*8 rr0ij,rr0jk,rr0ik,dc6iji,dc6ijj
1353 . c6,dc6iji,dc6ijj)
1356 dc6ij(iat,iat)=dc6iji
1455 . c6,dc6iji,dc6ijj)
1462 dc6ij(iat,jat)=dc6iji
1526 dc6i(iat)=dc6i(iat)+dc6_rest*dc6iji
1571 . c6,dc6iji,dc6ijj)
1573 dc6ij(iat,iat)=dc6iji
1650 . c6,dc6iji,dc6ijj)
1658 dc6ij(iat,jat)=dc6iji
[all …]
H A Dnwpwxc_vdw3a.F2138 real*8 dc6iji,dc6ijj
2283 . c6,dc6iji,dc6ijj)
2331 dc6ij(iat,jat)=dc6iji
2344 dc6i(iat)=dc6i(iat)+dc6_rest*dc6iji
2396 . c6,dc6iji,dc6ijj)
2408 dc6ij(iat,jat)=dc6iji
2428 dc6i(iat)=dc6i(iat)+dc6_rest*dc6iji