Searched refs:idnorm (Results 1 – 3 of 3) sorted by relevance
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/selci/ |
| H A D | tester.F | 52 idnorm = selci_mptr(nroot)
63 $ nfmax, q(idnorm))
65 call selci_vadd(nroot, q(idnorm), 1, ptnorm, 1, ptnorm, 1)
68 & q(idnorm),iocc)
70 call selci_vadd(nroot, q(idnorm), 1, ptnorm_mp, 1, ptnorm_mp,1)
73 & q(idnorm),iocc)
77 $ nfmax, q(idnorm))
79 call selci_vadd(nroot, q(idnorm), 1, ptnorm, 1, ptnorm, 1)
82 $ nfmax, q(idnorm))
84 call selci_vadd(nroot, q(idnorm), 1, ptnorm, 1, ptnorm, 1)
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/selci/ |
| H A D | tester.F | 52 idnorm = selci_mptr(nroot)
63 $ nfmax, q(idnorm))
65 call selci_vadd(nroot, q(idnorm), 1, ptnorm, 1, ptnorm, 1)
68 & q(idnorm),iocc)
70 call selci_vadd(nroot, q(idnorm), 1, ptnorm_mp, 1, ptnorm_mp,1)
73 & q(idnorm),iocc)
77 $ nfmax, q(idnorm))
79 call selci_vadd(nroot, q(idnorm), 1, ptnorm, 1, ptnorm, 1)
82 $ nfmax, q(idnorm))
84 call selci_vadd(nroot, q(idnorm), 1, ptnorm, 1, ptnorm, 1)
[all …]
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| /dports/science/plumed/plumed2-2.7.2/src/tools/ |
| H A D | ERMSD.cpp | 135 double idnorm = 1./d.modulo(); in calcMat() local
140 pos[at_idx+2] = d*idnorm; in calcMat()
|