| /dports/science/dftbplus/dftbplus-19.1/external/dftd3/origin/prg/ |
| H A D | main.f90 | 479 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab, &
539 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,rcov, &
717 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab, &
730 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab, &
743 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab, &
771 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab, &
781 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab, &
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/ |
| H A D | nwxc_vdw3c.F | 299 subroutine pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab, subroutine
660 end subroutine pbcedisp
1054 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
1066 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
1072 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
1091 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
1101 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
2581 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
2590 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/ |
| H A D | nwxc_vdw3c.F | 299 subroutine pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab, subroutine
660 end subroutine pbcedisp
1054 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
1066 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
1072 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
1091 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
1101 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
2581 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
2590 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
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| H A D | nwxc_vdw3.F | 667 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
727 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,rcov,
4476 subroutine pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab, subroutine
4796 end subroutine pbcedisp
5157 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
5169 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
5175 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
5194 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
5204 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
6675 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
[all …]
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| H A D | nwxc_vdw3a.F | 672 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
732 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,rcov,
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| /dports/science/octopus/octopus-10.5/external_libs/dftd3/ |
| H A D | api.f90 | 260 call pbcedisp(max_elem, maxc, natom, coords, izp, this%c6ab, this%mxc, &
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| H A D | core.f90 | 2492 subroutine pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,& subroutine
2811 end subroutine pbcedisp
3217 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,&
3229 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,&
3236 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,&
3256 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,&
3266 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,&
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| /dports/science/dftbplus/dftbplus-19.1/external/dftd3/origin/lib/ |
| H A D | api.f90 | 255 call pbcedisp(max_elem, maxc, natom, coords, izp, this%c6ab, this%mxc, &
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| H A D | core.f90 | 2451 subroutine pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,& subroutine
2758 end subroutine pbcedisp
3157 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,&
3169 call pbcedisp(max_elem,maxc,n,xyzTmp,iz,c6ab,mxc,r2r4,r0ab,&
3176 call pbcedisp(max_elem,maxc,n,xyzTmp,iz,c6ab,mxc,r2r4,r0ab,&
3196 call pbcedisp(max_elem,maxc,n,xyzTmp,iz,c6ab,mxc,r2r4,r0ab,&
3205 call pbcedisp(max_elem,maxc,n,xyzTmp,iz,c6ab,mxc,r2r4,r0ab,&
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/dft-d3/ |
| H A D | api.f90 | 265 call pbcedisp(max_elem, maxc, natom, coords, izp, this%c6ab, this%mxc, &
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| H A D | core.f90 | 2496 subroutine pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,& subroutine
2816 end subroutine pbcedisp
3232 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,&
3244 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,&
3251 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,&
3271 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,&
3281 call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,&
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/nwpwxc/ |
| H A D | nwpwxc_vdw3a.patch | 399 - call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
561 - call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
572 - call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
583 - call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
601 - call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
610 - call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
3501 - end subroutine pbcedisp
3970 - call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
3982 - call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
3989 - call pbcedisp(max_elem,maxc,n,xyz,iz,c6ab,mxc,r2r4,r0ab,
[all …]
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