repulsion (reference) in projects: dports

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Searched refs:repulsion (Results 201 – 225 of 4177) sorted by relevance

1 2 3 4 5 6 7 8910 >>...168

/dports/science/mpqc/mpqc-2.3.1/src/bin/mpqc/validate/ref/
H A D	basis1_nescfccpvtzd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_hescf6311gd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_hescf631ppgsd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_hescfccpvtzd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_nescf631ppgsd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_nescfccpvqzd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis2_arscf321gd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis2_arscf6311gd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis2_arscf6311gsd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis2_arscf631gd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_hescf321gsd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_hescf321ppgd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_hescf6311gsd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_hescf6311gssd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_hescf631gd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_hescfaugccpvqzd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_hescfaugccpvtzd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_hescfccpv5zd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_nescf321ppgsd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_nescf431gd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_nescf6311gd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_nescf6311gssd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_nescf6311ppgssd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_nescf631gd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`
H A D	basis1_nescfaugccpvdzd2h.out	`39 nuclear repulsion energy = 0.0000000000 83 nuclear repulsion energy = 0.0000000000`

1 2 3 4 5 6 7 8910 >>...168