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Searched refs:Mc_AN (Results 1 – 25 of 66) sorted by relevance

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/dports/science/openmx/openmx3.8/source/
H A DMixing_H.c115 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Pulay_Mixing_H_MultiSecant()
140 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Pulay_Mixing_H_MultiSecant()
170 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Pulay_Mixing_H_MultiSecant()
189 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Pulay_Mixing_H_MultiSecant()
217 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Pulay_Mixing_H_MultiSecant()
263 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Pulay_Mixing_H_MultiSecant()
331 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Pulay_Mixing_H_MultiSecant()
417 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Pulay_Mixing_H_MultiSecant()
509 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Pulay_Mixing_H_MultiSecant()
687 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Pulay_Mixing_H_MultiSecant()
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H A DFree_Arrays.c43 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in array0()
67 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in array0()
72 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in array0()
77 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in array0()
220 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in array0()
260 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in array0()
360 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in array0()
483 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in array0()
539 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in array0()
1067 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in array0()
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H A DKrylov.c273 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in Krylov_Col()
294 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in Krylov_Col()
320 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Krylov_Col()
334 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in Krylov_Col()
346 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Krylov_Col()
348 myid,Mc_AN,M2G[Mc_AN],Msize[Mc_AN]); in Krylov_Col()
364 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in Krylov_Col()
406 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in Krylov_Col()
457 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Krylov_Col()
1434 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Krylov_Col()
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H A Dtruncation.c354 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in truncation()
545 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in truncation()
629 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in truncation()
804 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in truncation()
1213 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in truncation()
1307 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in truncation()
1404 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in truncation()
1592 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in truncation()
1762 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in truncation()
1813 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in truncation()
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H A DEff_Hub_Pot.c70 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Eff_Hub_Pot()
88 iHNL[0][Mc_AN][j][m][n] = iHNL0[0][Mc_AN][j][m][n]; in Eff_Hub_Pot()
89 iHNL[1][Mc_AN][j][m][n] = iHNL0[1][Mc_AN][j][m][n]; in Eff_Hub_Pot()
90 iHNL[2][Mc_AN][j][m][n] = iHNL0[2][Mc_AN][j][m][n]; in Eff_Hub_Pot()
120 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in H_U_onsite()
163 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in H_U_onsite()
187 iHNL[0][Mc_AN][j][m][n] = iHNL0[0][Mc_AN][j][m][n] + F_U_flag*NC_v_eff[0][0][Mc_AN][m][n].i; in H_U_onsite()
411 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in H_U_full()
472 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in H_U_full()
585 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in H_U_dual()
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H A DSet_Hamiltonian.c69 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Set_Hamiltonian()
79 H[0][Mc_AN][h_AN][i][j] = F_Kin_flag*H0[0][Mc_AN][h_AN][i][j] in Set_Hamiltonian()
81 H[1][Mc_AN][h_AN][i][j] = F_Kin_flag*H0[0][Mc_AN][h_AN][i][j] in Set_Hamiltonian()
87 H[0][Mc_AN][h_AN][i][j] = F_Kin_flag*H0[0][Mc_AN][h_AN][i][j] in Set_Hamiltonian()
100 H[0][Mc_AN][h_AN][i][j] += H_Hub[0][Mc_AN][h_AN][i][j]; in Set_Hamiltonian()
101 H[1][Mc_AN][h_AN][i][j] += H_Hub[1][Mc_AN][h_AN][i][j]; in Set_Hamiltonian()
102 H[2][Mc_AN][h_AN][i][j] += H_Hub[2][Mc_AN][h_AN][i][j]; in Set_Hamiltonian()
115 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Set_Hamiltonian()
137 H[spin][Mc_AN][h_AN][i][j] += H_Hub[spin][Mc_AN][h_AN][i][j]; in Set_Hamiltonian()
211 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Calc_MatrixElements_dVH_Vxc_VNA()
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H A DGR_Pulay_DM.c78 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in GR_Pulay_DM()
141 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in GR_Pulay_DM()
161 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in GR_Pulay_DM()
204 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in GR_Pulay_DM()
228 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in GR_Pulay_DM()
257 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in GR_Pulay_DM()
357 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in GR_Pulay_DM()
402 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in GR_Pulay_DM()
443 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in GR_Pulay_DM()
469 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in GR_Pulay_DM()
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H A DADIIS_Mixing_DM.c91 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in ADIIS_Mixing_DM()
138 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in ADIIS_Mixing_DM()
192 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in ADIIS_Mixing_DM()
211 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in ADIIS_Mixing_DM()
237 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in ADIIS_Mixing_DM()
280 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in ADIIS_Mixing_DM()
408 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in ADIIS_Mixing_DM()
452 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in ADIIS_Mixing_DM()
543 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in ADIIS_Mixing_DM()
618 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in ADIIS_Mixing_DM()
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H A DDIIS_Mixing_DM.c102 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in DIIS_Mixing_DM()
149 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in DIIS_Mixing_DM()
222 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in DIIS_Mixing_DM()
258 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in DIIS_Mixing_DM()
335 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in DIIS_Mixing_DM()
386 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in DIIS_Mixing_DM()
482 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in DIIS_Mixing_DM()
557 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in DIIS_Mixing_DM()
644 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in DIIS_Mixing_DM()
774 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in DIIS_Mixing_DM()
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H A DOutput_Energy_Decomposition.c93 tmp_array0[num] = DecEkin[0][Mc_AN][i] + DecEkin[1][Mc_AN][i]; num++; in Output_Energy_Decomposition()
94 tmp_array0[num] = DecEna[ 0][Mc_AN][i] + DecEna[ 1][Mc_AN][i]; num++; in Output_Energy_Decomposition()
95 tmp_array0[num] = DecEnl[ 0][Mc_AN][i] + DecEnl[ 1][Mc_AN][i]; num++; in Output_Energy_Decomposition()
96 tmp_array0[num] = DecEdee[0][Mc_AN][i] + DecEdee[1][Mc_AN][i]; num++; in Output_Energy_Decomposition()
97 tmp_array0[num] = DecExc[ 0][Mc_AN][i] + DecExc[ 1][Mc_AN][i]; num++; in Output_Energy_Decomposition()
98 tmp_array0[num] = DecEscc[0][Mc_AN][i] + DecEscc[1][Mc_AN][i]; num++; in Output_Energy_Decomposition()
99 tmp_array0[num] = DecEef[ 0][Mc_AN][i] + DecEef[ 1][Mc_AN][i]; num++; in Output_Energy_Decomposition()
100 tmp_array0[num] = DecEhub[0][Mc_AN][i] + DecEhub[1][Mc_AN][i]; num++; in Output_Energy_Decomposition()
101 tmp_array0[num] = DecEcs[ 0][Mc_AN][i] + DecEcs[ 1][Mc_AN][i]; num++; in Output_Energy_Decomposition()
102 tmp_array0[num] = DecEzs[ 0][Mc_AN][i] + DecEzs[ 1][Mc_AN][i]; num++; in Output_Energy_Decomposition()
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H A DSimple_Mixing_DM.c38 int ian,jan,Mc_AN,Gc_AN; in Simple_Mixing_DM() local
72 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Simple_Mixing_DM()
73 Gc_AN = M2G[Mc_AN]; in Simple_Mixing_DM()
83 RDM[spin][Mc_AN][h_AN][m][n] = CDM[spin][Mc_AN][h_AN][m][n] in Simple_Mixing_DM()
97 iRDM[spin][Mc_AN][h_AN][m][n] = iCDM[spin][Mc_AN][h_AN][m][n] in Simple_Mixing_DM()
99 My_Norm += iRDM[spin][Mc_AN][h_AN][m][n]*iRDM[spin][Mc_AN][h_AN][m][n]; in Simple_Mixing_DM()
227 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Simple_Mixing_DM()
240 P2DM[spin][Mc_AN][h_AN][m][n] = PDM[spin][Mc_AN][h_AN][m][n]; in Simple_Mixing_DM()
241 PDM[spin][Mc_AN][h_AN][m][n] = CDM[spin][Mc_AN][h_AN][m][n]; in Simple_Mixing_DM()
254 iP2DM[spin][Mc_AN][h_AN][m][n] = iPDM[spin][Mc_AN][h_AN][m][n]; in Simple_Mixing_DM()
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H A DTRAN_Deallocate_RestartFile.c77 for (Mc_AN=1; Mc_AN<=atomnum_t; Mc_AN++){ in TRAN_Deallocate_RestartFile()
78 if (Mc_AN==0){ in TRAN_Deallocate_RestartFile()
83 Gc_AN = Mc_AN; in TRAN_Deallocate_RestartFile()
89 if (Mc_AN==0){ in TRAN_Deallocate_RestartFile()
110 for (Mc_AN=1; Mc_AN<=atomnum_t; Mc_AN++){ in TRAN_Deallocate_RestartFile()
116 Gc_AN = Mc_AN; in TRAN_Deallocate_RestartFile()
121 if (Mc_AN==0){ in TRAN_Deallocate_RestartFile()
142 for (Mc_AN=1; Mc_AN<=atomnum_t; Mc_AN++){ in TRAN_Deallocate_RestartFile()
143 if (Mc_AN==0){ in TRAN_Deallocate_RestartFile()
148 Gc_AN = Mc_AN; in TRAN_Deallocate_RestartFile()
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H A DDivide_Conquer.c175 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in DC_Col()
208 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in DC_Col()
210 myid,Mc_AN,M2G[Mc_AN],Msize[Mc_AN]); in DC_Col()
231 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in DC_Col()
288 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in DC_Col()
1175 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in DC_Col()
1396 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in DC_Col()
1404 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in DC_Col()
1442 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in DC_Col()
1539 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in DC_NonCol()
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H A DSCF2File.c52 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in SCF2File()
54 if (Mc_AN==0){ in SCF2File()
67 if (Mc_AN==0){ in SCF2File()
85 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in SCF2File()
87 if (Mc_AN==0){ in SCF2File()
118 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in SCF2File()
120 if (Mc_AN==0){ in SCF2File()
184 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in SCF2File()
217 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in SCF2File()
250 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in SCF2File()
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H A DEC.c459 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in EC_Col3()
481 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in EC_Col3()
1253 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in EC_Col3()
1310 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in EC_Col3()
1419 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in EC_Col3()
1882 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in EC_Col2()
1903 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in EC_Col2()
2502 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in EC_Col2()
3109 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in EC_Col()
3129 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in EC_Col()
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H A DDivide_Conquer_Dosout.c127 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in DC_Dosout_Col()
159 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in DC_Dosout_Col()
161 myid,Mc_AN,M2G[Mc_AN],Msize[Mc_AN]); in DC_Dosout_Col()
182 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in DC_Dosout_Col()
558 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in DC_Dosout_Col()
962 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in DC_Dosout_Col()
970 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in DC_Dosout_Col()
1090 for (Mc_AN=0; Mc_AN<=Matomnum; Mc_AN++){ in DC_Dosout_NonCol()
1121 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in DC_Dosout_NonCol()
1519 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in DC_Dosout_NonCol()
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H A DForce.c276 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Force()
305 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Force()
832 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Force()
1488 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Force()
1559 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Force()
1613 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Force()
3023 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Force4()
3160 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Force_HNL()
3393 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Force_HNL()
3686 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Force_HNL()
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H A DTotal_Energy.c66 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Total_Energy()
77 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Total_Energy()
432 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Calc_Ekin()
647 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Calc_Ena()
866 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Calc_Enl()
1286 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Calc_EH0()
1396 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Calc_EH0()
1675 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Calc_EXC_EH1()
2024 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Calc_EXC_EH1()
2728 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Calc_EXC_EH1()
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H A DOrbital_Moment.c118 for (Mc_AN=0; Mc_AN<=(Matomnum+MatomnumF); Mc_AN++){ in OM_dual()
120 if (Mc_AN==0){ in OM_dual()
125 Gc_AN = F_M2G[Mc_AN]; in OM_dual()
133 if (Mc_AN==0){ in OM_dual()
155 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in OM_dual()
165 iDM0[k][Mc_AN][h_AN][i][j] = iDM[0][k][Mc_AN][h_AN][i][j]; in OM_dual()
296 Mc_AN++; in OM_dual()
335 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in OM_dual()
668 for (Mc_AN=0; Mc_AN<=(Matomnum+MatomnumF); Mc_AN++){ in OM_dual()
682 if (Mc_AN==0){ in OM_dual()
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H A DTRAN_RestartFile.c304 for (Mc_AN=1; Mc_AN<=atomnum_t; Mc_AN++){ in TRAN_Input_HKS()
306 if (Mc_AN==0){ in TRAN_Input_HKS()
311 Gc_AN = Mc_AN; in TRAN_Input_HKS()
319 if (Mc_AN==0){ in TRAN_Input_HKS()
370 for (Mc_AN=1; Mc_AN<=atomnum_t; Mc_AN++){ in TRAN_Input_HKS()
372 if (Mc_AN==0){ in TRAN_Input_HKS()
377 Gc_AN = Mc_AN; in TRAN_Input_HKS()
385 if (Mc_AN==0){ in TRAN_Input_HKS()
410 for (Mc_AN=1; Mc_AN<=atomnum_t; Mc_AN++){ in TRAN_Input_HKS()
412 if (Mc_AN==0){ in TRAN_Input_HKS()
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H A DSet_Nonlocal.c120 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Nonlocal0()
121 Gc_AN = M2G[Mc_AN]; in Nonlocal0()
131 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Nonlocal0()
132 Gc_AN = M2G[Mc_AN]; in Nonlocal0()
293 Mc_AN = OneD2Mc_AN[Nloop]; in Nonlocal0()
298 Gc_AN = M2G[Mc_AN]; in Nonlocal0()
899 Mc_AN = Snd_MAN[IDS][n]; in Nonlocal0()
963 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Nonlocal0()
967 Gc_AN = M2G[Mc_AN]; in Nonlocal0()
1159 Gc_AN = M2G[Mc_AN]; in Nonlocal0()
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H A DOccupation_Number_LDA_U.c96 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Occupation_Number_LDA_U()
150 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in mixing_occupation()
232 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in occupation_onsite()
559 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in occupation_full()
744 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in occupation_full()
805 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in occupation_full()
921 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in occupation_full()
1097 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in occupation_full()
2104 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in occupation_dual()
2957 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in make_v_eff()
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H A DOpt_Contraction.c286 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Atoms_Opt_Contraction_DIIS()
300 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Atoms_Opt_Contraction_DIIS()
315 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Atoms_Opt_Contraction_DIIS()
336 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Atoms_Opt_Contraction_DIIS()
401 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Atoms_Opt_Contraction_DIIS()
434 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Atoms_Opt_Contraction_DIIS()
463 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Atoms_Opt_Contraction_DIIS()
831 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Species_Opt_Contraction_DIIS()
2111 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in D_RCntCoes()
2300 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in D_ACntCoes()
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H A DInitial_CntCoes2.c483 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Initial_CntCoes2()
514 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Initial_CntCoes2()
1047 Mc_AN,Gc_AN,al,p,CntCoes[Mc_AN][al][p]); in Initial_CntCoes2()
1091 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Initial_CntCoes2()
1151 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Initial_CntCoes2()
1181 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Initial_CntCoes2()
1216 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Initial_CntCoes2()
1249 CntCoes[Mc_AN][al1][p] -= CntCoes[Mc_AN][al0][p]/tmp0*tmp1; in Initial_CntCoes2()
1321 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Initial_CntCoes2()
1340 CntCoes[Mc_AN][al][p] = CntCoes[Mc_AN][al][p]*tmp0; in Initial_CntCoes2()
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H A DInitial_CntCoes.c467 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Initial_CntCoes()
495 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Initial_CntCoes()
984 Mc_AN,Gc_AN,al,p,CntCoes[Mc_AN][al][p]); in Initial_CntCoes()
1064 Mc_AN,Gc_AN,al,p,CntCoes[Mc_AN][al][p]); in Initial_CntCoes()
1139 sum = sum + CntCoes[Mc_AN][al0][p]*CntCoes[Mc_AN][al1][p]; in Initial_CntCoes()
1178 Mc_AN,Gc_AN,al,p,CntCoes[Mc_AN][al][p]); in Initial_CntCoes()
1243 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Initial_CntCoes()
1264 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Initial_CntCoes()
1297 for (Mc_AN=1; Mc_AN<=Matomnum; Mc_AN++){ in Initial_CntCoes()
1316 CntCoes[Mc_AN][al][p] = CntCoes[Mc_AN][al][p]*tmp0; in Initial_CntCoes()
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