| /dports/science/dftbplus/dftbplus-19.1/external/dftd3/origin/lib/ |
| H A D | api.f90 | 64 integer :: rep_vdw(3), rep_cn(3) component
235 integer :: rep_cn(3), rep_vdw(3) local
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| H A D | core.f90 | 2404 subroutine pbcncoord(natoms,rcov,iz,xyz,cn,lat,rep_cn,crit_cn) argument
2408 integer i,rep_cn(3) local
2453 & e6,e8,e10,e12,e63,lat,rthr,rep_vdw,cn_thr,rep_cn) argument
2459 integer rep_vdw(3),rep_cn(3) local
3085 & version,g,disp,gnorm,stress,lat,rep_v,rep_cn,& argument
3105 integer, DIMENSION(3) :: rep_v,rep_cn local
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| /dports/science/octopus/octopus-10.5/external_libs/dftd3/ |
| H A D | api.f90 | 64 integer :: rep_vdw(3), rep_cn(3) component
238 integer :: rep_cn(3), rep_vdw(3) local
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| H A D | core.f90 | 2443 subroutine pbcncoord(natoms,rcov,iz,xyz,cn,lat,rep_cn,crit_cn) argument
2447 integer i,rep_cn(3) local
2494 & e6,e8,e10,e12,e63,lat,rthr,rep_vdw,cn_thr,rep_cn) argument
2499 integer rep_vdw(3),rep_cn(3) local
3148 & version,g,disp,gnorm,stress,lat,rep_v,rep_cn,& argument
3167 integer, DIMENSION(3) :: rep_v,rep_cn local
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/dft-d3/ |
| H A D | api.f90 | 66 integer :: rep_vdw(3), rep_cn(3) component
243 integer :: rep_cn(3), rep_vdw(3) local
|
| H A D | dftd3_qe.f90 | 70 integer :: rep_cn(3), rep_vdw(3) local
|
| H A D | core.f90 | 2447 subroutine pbcncoord(natoms,rcov,iz,xyz,cn,lat,rep_cn,crit_cn) argument
2451 integer i,max_elem,rep_cn(3) local
2498 & e6,e8,e10,e12,e63,lat,rthr,rep_vdw,cn_thr,rep_cn) argument
2503 integer rep_vdw(3),rep_cn(3) local
3153 & version,g,disp,gnorm,stress,lat,rep_v,rep_cn,& argument
3174 integer, DIMENSION(3) :: rep_v,rep_cn local
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| /dports/science/dftbplus/dftbplus-19.1/external/dftd3/origin/prg/ |
| H A D | main.f90 | 89 integer rep_vdw(3),rep_cn(3) variable
|
| H A D | extras.f90 | 1558 & autoang,rthr,rep_v,cn_thr,rep_cn,s6,s18,etot,lat) argument
1565 integer rep_v(3),rep_cn(3) local
|
| /dports/science/xtb/xtb-6.4.1/src/disp/ |
| H A D | ncoord.f90 | 398 integer :: rep_cn(3) local
691 integer :: rep_cn(3) local
759 integer :: rep_cn(3) local
970 integer :: rep_cn(3) local
1042 integer :: rep_cn(3) local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/ |
| H A D | nwxc_vdw3c.F | 144 subroutine pbcncoord(natoms,rcov,iz,xyz,cn,lat,rep_cn,crit_cn) argument
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/ |
| H A D | nwxc_vdw3c.F | 144 subroutine pbcncoord(natoms,rcov,iz,xyz,cn,lat,rep_cn,crit_cn) argument
|
| H A D | nwxc_vdw3.F | 4327 subroutine pbcncoord(natoms,rcov,iz,xyz,cn,lat,rep_cn,crit_cn) argument
|
| /dports/science/xtb/xtb-6.4.1/src/ |
| H A D | eeq_model.f90 | 1075 integer :: rep_cn(3) local
|
| H A D | peeq_module.f90 | 118 integer :: rep_cn(3) local
|