Lines Matching refs:Cwan

155   int i,j,Mc_AN,Gc_AN,Cwan,be,his;  in Atoms_Opt_Contraction_DIIS()  local
288 Cwan = WhatSpecies[Gc_AN]; in Atoms_Opt_Contraction_DIIS()
289 for (be=0; be<Spe_Total_CNO[Cwan]; be++){ in Atoms_Opt_Contraction_DIIS()
290 for (p=0; p<Spe_Specified_Num[Cwan][be]; p++){ in Atoms_Opt_Contraction_DIIS()
302 Cwan = WhatSpecies[Gc_AN]; in Atoms_Opt_Contraction_DIIS()
303 for (be=0; be<Spe_Total_CNO[Cwan]; be++){ in Atoms_Opt_Contraction_DIIS()
304 for (p=0; p<Spe_Specified_Num[Cwan][be]; p++){ in Atoms_Opt_Contraction_DIIS()
317 Cwan = WhatSpecies[Gc_AN]; in Atoms_Opt_Contraction_DIIS()
318 for (be=0; be<Spe_Total_CNO[Cwan]; be++){ in Atoms_Opt_Contraction_DIIS()
319 for (p=0; p<Spe_Specified_Num[Cwan][be]; p++){ in Atoms_Opt_Contraction_DIIS()
338 Cwan = WhatSpecies[Gc_AN]; in Atoms_Opt_Contraction_DIIS()
339 for (be=0; be<Spe_Total_CNO[Cwan]; be++){ in Atoms_Opt_Contraction_DIIS()
340 for (p=0; p<Spe_Specified_Num[Cwan][be]; p++){ in Atoms_Opt_Contraction_DIIS()
403 Cwan = WhatSpecies[Gc_AN]; in Atoms_Opt_Contraction_DIIS()
404 for (be=0; be<Spe_Total_CNO[Cwan]; be++){ in Atoms_Opt_Contraction_DIIS()
405 for (p=0; p<Spe_Specified_Num[Cwan][be]; p++){ in Atoms_Opt_Contraction_DIIS()
437 Cwan = WhatSpecies[Gc_AN]; in Atoms_Opt_Contraction_DIIS()
439 for (al=0; al<Spe_Total_CNO[Cwan]; al++){ in Atoms_Opt_Contraction_DIIS()
442 for (p=0; p<Spe_Specified_Num[Cwan][al]; p++){ in Atoms_Opt_Contraction_DIIS()
443 p0 = Spe_Trans_Orbital[Cwan][al][p]; in Atoms_Opt_Contraction_DIIS()
445 for (q=0; q<Spe_Specified_Num[Cwan][al]; q++){ in Atoms_Opt_Contraction_DIIS()
446 q0 = Spe_Trans_Orbital[Cwan][al][q]; in Atoms_Opt_Contraction_DIIS()
454 for (p=0; p<Spe_Specified_Num[Cwan][al]; p++){ in Atoms_Opt_Contraction_DIIS()
465 Cwan = WhatSpecies[Gc_AN]; in Atoms_Opt_Contraction_DIIS()
466 for (be=0; be<Spe_Total_CNO[Cwan]; be++){ in Atoms_Opt_Contraction_DIIS()
467 for (p=0; p<Spe_Specified_Num[Cwan][be]; p++){ in Atoms_Opt_Contraction_DIIS()
698 int i,j,Mc_AN,Mc_AN1,Cwan,Gc_AN,be,his,po,my_po; in Species_Opt_Contraction_DIIS() local
1223 Cwan = WhatSpecies[Gc_AN]; in Species_Opt_Contraction_DIIS()
1225 if (wan==Cwan){ in Species_Opt_Contraction_DIIS()
1387 int i,j,Mc_AN,Mc_AN1,Cwan,Gc_AN,be,his,po,my_po; in Species_Opt_Contraction_EDIIS() local
1913 Cwan = WhatSpecies[Gc_AN]; in Species_Opt_Contraction_EDIIS()
1915 if (wan==Cwan){ in Species_Opt_Contraction_EDIIS()
2071 int i,j,Cwan,Mc_AN,Gc_AN,Mh_AN; in D_RCntCoes() local
2113 Cwan = WhatSpecies[Gc_AN]; in D_RCntCoes()
2114 for (al=0; al<Spe_Total_CNO[Cwan]; al++){ in D_RCntCoes()
2115 for (p=0; p<Spe_Specified_Num[Cwan][al]; p++){ in D_RCntCoes()
2116 p0 = Spe_Trans_Orbital[Cwan][al][p]; in D_RCntCoes()
2156 for (L0=0; L0<=Spe_MaxL_Basis[Cwan]; L0++){ in D_RCntCoes()
2157 for (Mul0=0; Mul0<Spe_Num_CBasis[Cwan][L0]; Mul0++){ in D_RCntCoes()
2159 for (p=0; p<Spe_Specified_Num[Cwan][al+1]; p++){ in D_RCntCoes()
2166 for (p=0; p<Spe_Specified_Num[Cwan][al]; p++){ in D_RCntCoes()
2174 for (p=0; p<Spe_Specified_Num[Cwan][al]; p++){ in D_RCntCoes()
2247 int i,j,Cwan,Mc_AN,Gc_AN,Mh_AN; in D_ACntCoes() local
2302 Cwan = WhatSpecies[Gc_AN]; in D_ACntCoes()
2303 for (al=0; al<Spe_Total_CNO[Cwan]; al++){ in D_ACntCoes()
2304 for (p=0; p<Spe_Specified_Num[Cwan][al]; p++){ in D_ACntCoes()
2305 p0 = Spe_Trans_Orbital[Cwan][al][p]; in D_ACntCoes()
2346 for (L0=0; L0<=Spe_MaxL_Basis[Cwan]; L0++){ in D_ACntCoes()
2347 for (Mul0=0; Mul0<Spe_Num_CBasis[Cwan][L0]; Mul0++){ in D_ACntCoes()
2349 for (p=0; p<Spe_Specified_Num[Cwan][al+1]; p++){ in D_ACntCoes()
2356 for (p=0; p<Spe_Specified_Num[Cwan][al]; p++){ in D_ACntCoes()
2364 for (p=0; p<Spe_Specified_Num[Cwan][al]; p++){ in D_ACntCoes()
2491 int Cwan,Mc_AN,Gc_AN,p,q,al; in NormD_RCnt() local
2502 Cwan = WhatSpecies[Gc_AN]; in NormD_RCnt()
2504 for (L0=0; L0<=Spe_MaxL_Basis[Cwan]; L0++){ in NormD_RCnt()
2505 for (Mul0=0; Mul0<Spe_Num_CBasis[Cwan][L0]; Mul0++){ in NormD_RCnt()
2508 for (p=0; p<Spe_Specified_Num[Cwan][al]; p++){ in NormD_RCnt()
2525 int Cwan,Mc_AN,Gc_AN,p,q,al; in NormD_ACnt() local
2535 for (Cwan=0; Cwan<SpeciesNum; Cwan++){ in NormD_ACnt()
2537 for (L0=0; L0<=Spe_MaxL_Basis[Cwan]; L0++){ in NormD_ACnt()
2538 for (Mul0=0; Mul0<Spe_Num_CBasis[Cwan][L0]; Mul0++){ in NormD_ACnt()
2541 for (p=0; p<Spe_Specified_Num[Cwan][al]; p++){ in NormD_ACnt()
2542 My_NormD += DCntCoes_Spe[Cwan][al][p]*DCntCoes_Spe[Cwan][al][p]; in NormD_ACnt()