Searched refs:feff_dist (Results 1 – 2 of 2) sorted by relevance
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/md_xs/FEFF6L/ |
| H A D | feff6Lib.F | 1525 double precision function feff_dist(r0, r1) function
1529 feff_dist = 0.0d0
1531 feff_dist = feff_dist + (r0(i) - r1(i))**2
1533 feff_dist = dsqrt(feff_dist)
8973 rtmp = feff_dist(rat(1,iat),rat(1,jat))
9517 ri(j) = feff_dist(rat(1,i), rat(1,im1))
10774 rij = feff_dist (rat(1,il), rat(1,jl))
10782 rijm = feff_dist (rat(1,il), rat(1,jl-1))
10786 rimj = feff_dist (rat(1,il-1), rat(1,jl))
10790 riim = feff_dist (rat(1,il), rat(1,il-1))
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/md_xs/FEFF6L/ |
| H A D | feff6Lib.f | 1479 double precision function feff_dist(r0, r1) function
1483 feff_dist = 0.0d0
1485 feff_dist = feff_dist + (r0(i) - r1(i))**2
1487 feff_dist = dsqrt(feff_dist)
8770 rtmp = feff_dist(rat(1,iat),rat(1,jat))
9305 ri(j) = feff_dist(rat(1,i), rat(1,im1))
10525 rij = feff_dist (rat(1,il), rat(1,jl))
10533 rijm = feff_dist (rat(1,il), rat(1,jl-1))
10537 rimj = feff_dist (rat(1,il-1), rat(1,jl))
10541 riim = feff_dist (rat(1,il), rat(1,il-1))
[all …]
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