| /dports/science/openmx/openmx3.8/source/ |
| H A D | File_CntCoes.c | 44 int Mc_AN,Gc_AN,i,j,k; in Input_CntCoes() local
107 int Mc_AN,Gc_AN,i,j,k; in Output_CntCoes() local
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| H A D | Make_FracCoord.c | 28 int i,k,Mc_AN,Gc_AN,ct_AN; in Make_FracCoord() local
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| H A D | Eff_Hub_Pot.c | 35 int Mc_AN,Gc_AN,Mj_AN,Mi_AN,Mk_AN; in Eff_Hub_Pot() local
110 int Mc_AN,Gc_AN,Mj_AN,Mi_AN,Mk_AN; in H_U_onsite() local
218 int Mc_AN,Gc_AN,Mj_AN,Mi_AN,Mk_AN; in H_U_full() local
572 int Mc_AN,Gc_AN,Mj_AN,Mi_AN,Mk_AN; in H_U_dual() local
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| H A D | Cont_Matrix3.c | 20 int spin,Mc_AN,Gc_AN,h_AN,L,L1,M1; in Cont_Matrix3() local
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| H A D | Contract_iHNL.c | 20 int i1,Gc_AN,Mc_AN,h_AN,Mh_AN,Gh_AN; in Contract_iHNL() local
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| H A D | Cont_Matrix4.c | 20 int spin,Mc_AN,Gc_AN,h_AN,L,L1,M1; in Cont_Matrix4() local
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| H A D | Cont_Matrix0.c | 20 int spin,Mc_AN,Gc_AN,h_AN,Gh_AN,Mh_AN,L,L1,M1; in Cont_Matrix0() local
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| H A D | Cont_Matrix1.c | 20 int spin,Mc_AN,Gc_AN,h_AN,Gh_AN,Mh_AN,L,L1,M1; in Cont_Matrix1() local
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| H A D | Contract_Hamiltonian.c | 22 int spin,Gc_AN,Mc_AN,h_AN,Mh_AN,Gh_AN; in Contract_Hamiltonian() local
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| H A D | Opt_Contraction.c | 155 int i,j,Mc_AN,Gc_AN,Cwan,be,his; in Atoms_Opt_Contraction_DIIS() local
698 int i,j,Mc_AN,Mc_AN1,Cwan,Gc_AN,be,his,po,my_po; in Species_Opt_Contraction_DIIS() local
830 int p,Mc_AN,Gc_AN,wan,al; in Species_Opt_Contraction_DIIS() local
1387 int i,j,Mc_AN,Mc_AN1,Cwan,Gc_AN,be,his,po,my_po; in Species_Opt_Contraction_EDIIS() local
2071 int i,j,Cwan,Mc_AN,Gc_AN,Mh_AN; in D_RCntCoes() local
2247 int i,j,Cwan,Mc_AN,Gc_AN,Mh_AN; in D_ACntCoes() local
2491 int Cwan,Mc_AN,Gc_AN,p,q,al; in NormD_RCnt() local
2525 int Cwan,Mc_AN,Gc_AN,p,q,al; in NormD_ACnt() local
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| H A D | Cont_Matrix2.c | 21 int spin,Mc_AN,Gc_AN,h_AN,Gh_AN,L,L1,M1; in Cont_Matrix2() local
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| H A D | Total_Energy.c | 51 int Mc_AN,Gc_AN,h_AN; in Total_Energy() local
277 int Mc_AN,Gc_AN,Cwan,Rn,h_AN,Gh_AN,Hwan; in Calc_Ekin() local
486 int Mc_AN,Gc_AN,Cwan,Rn,h_AN,Gh_AN,Hwan; in Calc_Ena() local
697 int Mc_AN,Gc_AN,Cwan,Rn,h_AN,Gh_AN,Hwan; in Calc_Enl() local
956 int Mc_AN,Gc_AN,Cwan,Rn,h_AN,Gh_AN,Hwan; in Calc_Ecore() local
1092 int Mc_AN,Gc_AN,h_AN,Gh_AN,num,gnum,i; in Calc_EH0() local
1463 int Gc_AN,Mc_AN,spe; in Calc_EXC_EH1() local
3082 int Mc_AN,Gc_AN,wan1; in Calc_Ehub() local
3300 int Mc_AN,Gc_AN,wanA,wanB; in Calc_EdftD() local
3474 int Mc_AN,Gc_AN,Gc_BN,Gc_CN,wanA,wanB,iZ; /* atom counting and species */ in Calc_EdftD3() local
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| H A D | Mixing_H.c | 72 int Mc_AN,Gc_AN,Cwan,Hwan,h_AN,Gh_AN,i,j,spin; in Pulay_Mixing_H_MultiSecant() local
984 int Mc_AN,Gc_AN,Cwan,Hwan,h_AN,Gh_AN,i,j,spin; in Pulay_Mixing_H_with_One_Shot_Hessian() local
1735 int Mc_AN,Gc_AN,Cwan,Hwan,h_AN,Gh_AN,i,j,spin; in Pulay_Mixing_H() local
2319 int m,Mc_AN,Gc_AN,Cwan,spin,dim; in Simple_Mixing_H() local
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| H A D | SCF2File.c | 34 int Mc_AN,Gc_AN,tno0,tno1; in SCF2File() local
288 int Gc_AN,Mc_AN,ct_AN,h_AN,i,j,can,Gh_AN; in Output() local
860 int Mc_AN,Gc_AN,Mh_AN,h_AN,Gh_AN; in Calc_OLPpo() local
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| H A D | Set_Initial_DM.c | 27 int Mc_AN,Gc_AN,h_AN,Gh_AN,Cwan,Hwan; in Set_Initial_DM() local
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| H A D | Output_Energy_Decomposition.c | 24 int Mc_AN,Gc_AN,tno0,Cwan,num,l,m,n,mul,Nene; in Output_Energy_Decomposition() local
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| H A D | Set_Hamiltonian.c | 43 int Mc_AN,Gc_AN,Mh_AN,h_AN,Gh_AN; in Set_Hamiltonian() local
194 int Mc_AN,Gc_AN,Mh_AN,h_AN,Gh_AN; in Calc_MatrixElements_dVH_Vxc_VNA() local
245 int Nloop,spin,Mc_AN,h_AN,Gh_AN,Mh_AN,Hwan,NOLG; in Calc_MatrixElements_dVH_Vxc_VNA() local
291 int Mc_AN = OneD2Mc_AN[Nloop]; in Calc_MatrixElements_dVH_Vxc_VNA() local
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| H A D | TRAN_Output_HKS.c | 104 int Gc_AN,Mc_AN, tno0, Cwan, h_AN, tno1, Gh_AN, Hwan,k,m,N; in TRAN_Output_HKS() local
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| H A D | Simple_Mixing_DM.c | 38 int ian,jan,Mc_AN,Gc_AN; in Simple_Mixing_DM() local
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| H A D | Occupation_Number_LDA_U.c | 61 int Mc_AN,Gc_AN,Cwan,num,l,m,mul,n,k,tno1,tno0; in Occupation_Number_LDA_U() local
138 int Mc_AN,Gc_AN,wan1,i,j,spin; in mixing_occupation() local
208 int Mc_AN,Gc_AN,Cwan,num,l,m,mul; in occupation_onsite() local
451 int Mc_AN,Gc_AN,Cwan,num,l,m,n,mul,kl,hL_AN,hR_AN; in occupation_full() local
1379 int Mc_AN,Gc_AN,Cwan,num,l,m,n,mul,kl,hL_AN,hR_AN; in occupation_dual() local
2400 void Induce_Orbital_Polarization(int Mc_AN) in Induce_Orbital_Polarization()
2751 void Induce_NC_Orbital_Polarization(int Mc_AN) in Induce_NC_Orbital_Polarization()
2922 int Mc_AN,num,n,size1,size2,to1,to2; in make_v_eff() local
3164 int Mc_AN,num,n,size1,size2,to1,to2; in make_NC_v_eff() local
4781 int tno0,Mc_AN,num,l1,mul1,m1,to1,Ns; in Output_Collinear_OcpN() local
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| H A D | MD_pac.c | 246 int i,Mc_AN,Gc_AN,ct_AN,k; in Correct_Position_In_First_Cell() local
521 int Mc_AN,Gc_AN,j,k,l; in VerletXYZ() local
693 int i,j,k,l,Mc_AN,Gc_AN; in Steepest_Descent() local
967 int l,Mc_AN,Gc_AN; in Cell_Opt_SD() local
5632 int Mc_AN,Gc_AN,i,j,k,l; in NVT_VS() local
5845 int Mc_AN,Gc_AN,i,j,k,l; in NVT_Langevin() local
6192 int Mc_AN,Gc_AN,i,j,k,l; in NVT_VS2() local
6420 int Mc_AN,Gc_AN,i,j,k,l; in NVT_VS4() local
7080 int Mc_AN,Gc_AN; in Correct_Force() local
7274 int i,Mc_AN,Gc_AN,j,My_Nr,Nr; in Calc_Temp_Atoms() local
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| H A D | TRAN_Deallocate_RestartFile.c | 23 int i, k, Mc_AN, Gc_AN, tno0, Cwan, tno1, Gh_AN,m , h_AN, Hwan; in TRAN_Deallocate_RestartFile() local
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| H A D | Set_Vpot.c | 34 int i,j,k,n,nmax,ri,Mc_AN,Gc_AN,Rn,GNc,GRc; in Set_Vpot() local
278 int i,Mc_AN,Gc_AN,BN,CN,LN,GRc,N3[4]; in Make_VNA_Grid() local
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| H A D | Fuzzy_Weight.c | 26 double Fuzzy_Weight(int ct_AN, int Mc_AN, int Rn, double x, double y, double z) in Fuzzy_Weight()
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| H A D | Mixing_DM.c | 27 int Mc_AN,Gc_AN; in Mixing_DM() local
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