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Searched refs:c_orb (Results 1 – 3 of 3) sorted by relevance

/dports/science/gabedit/GabeditSrc251_300720/src/Molpro/
H A DMInterfaceComm.c591 static void c_orb (GtkWidget *bframe,gchar *titre,gchar *mode) in c_orb() function
783 c_orb(bframe,_("Defining the occupied orbitals"),"Occ"); in Traite_ci_Option()
786 c_orb(bframe,_("Defining the closed-shell orbitals"),"Closed"); in Traite_ci_Option()
789 c_orb(bframe,_("Defining the Frozen-core orbitals"),"Core"); in Traite_ci_Option()
822 c_orb(bframe,_("Defining the occupied orbitals"),"Occ"); in Traite_multi_Option()
825 c_orb(bframe,_("Defining the closed-shell orbitals"),"Closed"); in Traite_multi_Option()
828 c_orb(bframe,_("Defining the Frozen-core orbitals"),"Core"); in Traite_multi_Option()
860 c_orb(bframe,_("Specifying closed-shell orbitals"),"Closed"); in Traite_hf_Option()
863 c_orb(bframe,_("Defining the number of occupied orbitals in each symmetry"),"Occ"); in Traite_hf_Option()
/dports/science/nwchem-data/nwchem-7.0.2-release/src/develop/
H A Djantest.F1051 integer a_orb, b_orb, c_orb, d_orb, e_orb, f_orb local
1071 c_orb = (c-1)/2 + 1
1073 if ((c-2*c_orb).ne.0)c_spin = 1
1152 c_orb = (c-1)/2 + 1
1154 if ((c-2*c_orb).ne.0)c_spin = 1
1209 c_orb = (c-1)/2 + 1
1211 if ((c-2*c_orb).ne.0)c_spin = 1
1230 & ener(c_orb) -
1845 integer a_orb, b_orb, c_orb, d_orb, e_orb, f_orb local
2030 integer a_orb, b_orb, c_orb, d_orb, e_orb, f_orb local
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/develop/
H A Djantest.F1051 integer a_orb, b_orb, c_orb, d_orb, e_orb, f_orb
1071 c_orb = (c-1)/2 + 1
1073 if ((c-2*c_orb).ne.0)c_spin = 1
1152 c_orb = (c-1)/2 + 1
1154 if ((c-2*c_orb).ne.0)c_spin = 1
1209 c_orb = (c-1)/2 + 1
1211 if ((c-2*c_orb).ne.0)c_spin = 1
1230 & ener(c_orb) -
1845 integer a_orb, b_orb, c_orb, d_orb, e_orb, f_orb
2030 integer a_orb, b_orb, c_orb, d_orb, e_orb, f_orb
[all …]