Searched refs:c_orb (Results 1 – 3 of 3) sorted by relevance
/dports/science/gabedit/GabeditSrc251_300720/src/Molpro/ |
H A D | MInterfaceComm.c | 591 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 D | jantest.F | 1051 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 D | jantest.F | 1051 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 …]
|