| /dports/science/xtb/xtb-6.4.1/src/disp/ |
| H A D | ncoord.f90 | 149 real(wp) :: cn_thr local
182 real(wp) :: cn_thr local
217 real(wp) :: cn_thr local
254 real(wp) :: cn_thr local
289 real(wp) :: cn_thr local
341 real(wp) :: cn_thr local
394 real(wp) :: cn_thr local
478 real(wp) :: cn_thr local
529 real(wp) :: cn_thr local
584 real(wp) :: cn_thr local
[all …]
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| /dports/science/dftbplus/dftbplus-19.1/external/dftd3/origin/prg/ |
| H A D | main.f90 | 93 real(wp) cn_thr variable
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| H A D | extras.f90 | 135 & autoang,rthr,cn_thr,s6,s18,etot) argument
145 real(wp) damp6,damp8,r42,rr,check,rthr,cn_thr,rvdw local
1558 & autoang,rthr,rep_v,cn_thr,rep_cn,s6,s18,etot,lat) argument
1569 real(wp) damp6,damp8,r42,rr,check,rthr,cn_thr,rvdw local
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| /dports/science/octopus/octopus-10.5/external_libs/dftd3/ |
| H A D | core.f90 | 773 & rs6,rs8,rs10,alp6,alp8,alp10,version,noabc,rthr,cn_thr,& argument
784 real(wp) damp6,damp8,rr,c9,rthr,cn_thr local
934 & num,version,echo,g,disp,gnorm,cn_thr,fix) argument
948 real(wp) cn(n),gx1,gy1,gz1,gx2,gy2,gz2,rthr,cn_thr local
1536 subroutine ncoord(natoms,rcov,iz,xyz,cn,cn_thr) argument
1539 real(wp) cn_thr local
2494 & e6,e8,e10,e12,e63,lat,rthr,rep_vdw,cn_thr,rep_cn) argument
2498 real(wp) rthr,cn_thr,crit_cn local
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| H A D | api.f90 | 63 real(wp) :: rthr, cn_thr component
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| /dports/science/dftbplus/dftbplus-19.1/external/dftd3/origin/lib/ |
| H A D | core.f90 | 766 & rs6,rs8,alp6,alp8,version,noabc,rthr,cn_thr,& argument
779 real(wp) damp6,damp8,rr,c9,rthr,cn_thr local
927 & num,version,echo,g,disp,gnorm,cn_thr,fix) argument
943 real(wp) cn(n),gx1,gy1,gz1,gx2,gy2,gz2,rthr,cn_thr local
1499 subroutine ncoord(natoms,rcov,iz,xyz,cn,cn_thr) argument
1503 real(wp), intent(in) :: cn_thr local
2453 & e6,e8,e10,e12,e63,lat,rthr,rep_vdw,cn_thr,rep_cn) argument
2458 real(wp) rthr,cn_thr,crit_cn local
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| H A D | api.f90 | 63 real(wp) :: rthr, cn_thr component
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/dft-d3/ |
| H A D | api.f90 | 65 real(wp) :: rthr, cn_thr component
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| H A D | core.f90 | 772 & rs6,rs8,rs10,alp6,alp8,alp10,version,noabc,rthr,cn_thr,& argument
783 real(wp) damp6,damp8,damp10,rr,thr,c9,r42,c12,r10,c14,rthr,cn_thr local
933 & num,version,echo,g,disp,gnorm,cn_thr,fix) argument
947 real(wp) cn(n),gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr local
1540 subroutine ncoord(natoms,rcov,iz,xyz,cn,cn_thr) argument
1543 real(wp) cn_thr local
2498 & e6,e8,e10,e12,e63,lat,rthr,rep_vdw,cn_thr,rep_cn) argument
2502 real(wp) rthr,cn_thr,crit_cn local
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/ |
| H A D | nwpwxc_vdw3a.F | 2775 subroutine nwpwxc_ncoord(natoms,rcov,iz,xyz,cn,cn_thr) argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/DFT3-OLD/ |
| H A D | nwpwxc_vdw3a.F | 2472 subroutine nwpwxc_ncoord(natoms,rcov,iz,xyz,cn,cn_thr) argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/DFT3-NEW/ |
| H A D | nwpwxc_vdw3a.F | 2764 subroutine nwpwxc_ncoord(natoms,rcov,iz,xyz,cn,cn_thr) argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/ |
| H A D | nwxc_vdw3a.F | 2456 subroutine ncoord(natoms,rcov,iz,xyz,cn,cn_thr) argument
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| H A D | nwxc_vdw3.F | 2473 subroutine ncoord(natoms,rcov,iz,xyz,cn,cn_thr) argument
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| /dports/science/xtb/xtb-6.4.1/src/gfnff/ |
| H A D | gfnff_eg.f90 | 764 real(wp) :: cn_thr local
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