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Searched refs:ion_q (Results 1 – 8 of 8) sorted by relevance

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/utilities/
H A Dnwpw_cdft.F40 real*8 ion_q
41 external ion_q
H A Dnwpw_born.F134 real*8 ion_q,nwpw_born_radius
135 external ion_q,nwpw_born_radius
166 dbl_mb(vradii(1)+ii-1) = vdwr(nint(ion_q(ii)))/0.529177d0
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/dplot/
H A Dband_dplot.F977 real*8 lattice_unita,ion_rion,ion_q
979 external lattice_unita,ion_rion,ion_q
1053 q = ion_q(i)
1152 real*8 lattice_unita,ion_rion,ion_q
1154 external lattice_unita,ion_rion,ion_q
1371 q = ion_q(i)
1520 real*8 lattice_unita,ion_rion,ion_q
1522 external lattice_unita,ion_rion,ion_q
1739 q = ion_q(i)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/dplot/
H A Dband_dplot.F976 real*8 lattice_unita,ion_rion,ion_q
978 external lattice_unita,ion_rion,ion_q
1052 q = ion_q(i)
1151 real*8 lattice_unita,ion_rion,ion_q
1153 external lattice_unita,ion_rion,ion_q
1370 q = ion_q(i)
1519 real*8 lattice_unita,ion_rion,ion_q
1521 external lattice_unita,ion_rion,ion_q
1738 q = ion_q(i)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/dplot/
H A Dpspw_dplot.F941 real*8 lattice_unita,ion_rion,ion_q local
943 external lattice_unita,ion_rion,ion_q
1060 q = ion_q(i)
1584 real*8 lattice_unita,ion_rion,ion_q local
1586 external lattice_unita,ion_rion,ion_q
1807 q = ion_q(i)
1961 real*8 lattice_unita,ion_rion,ion_q local
1963 external lattice_unita,ion_rion,ion_q
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/dplot/
H A Dpspw_dplot.F941 real*8 lattice_unita,ion_rion,ion_q
943 external lattice_unita,ion_rion,ion_q
1060 q = ion_q(i)
1584 real*8 lattice_unita,ion_rion,ion_q
1586 external lattice_unita,ion_rion,ion_q
1807 q = ion_q(i)
1961 real*8 lattice_unita,ion_rion,ion_q
1963 external lattice_unita,ion_rion,ion_q
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/ion/
H A Dion.F1001 real*8 function ion_q(i)
1020 ion_q = q
1082 real*8 ion_q
1085 external ion_q
1095 > q = ion_q(i)
1120 real*8 ion_q
1123 external ion_q
1135 atn = nint(ion_q(ii))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/ion/
H A Dion.F991 real*8 function ion_q(i)
1010 ion_q = q
1072 real*8 ion_q
1075 external ion_q
1085 > q = ion_q(i)
1110 real*8 ion_q
1113 external ion_q
1125 atn = nint(ion_q(ii))