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Searched refs:Angle1_Spin (Results 1 – 22 of 22) sorted by relevance

/dports/science/openmx/openmx3.8/source/
H A DTRAN_Input_std_Atoms.c125 &Angle0_Spin[Latomnum+i], &Angle1_Spin[Latomnum+i], in TRAN_Input_std_Atoms()
135 Angle1_Spin[Latomnum+i] = PI*Angle1_Spin[Latomnum+i]/180.0; in TRAN_Input_std_Atoms()
137 InitAngle1_Spin[Latomnum+i] = Angle1_Spin[Latomnum+i]; in TRAN_Input_std_Atoms()
159 Angle1_Spin[Latomnum+i] = S_coordinate[2]; in TRAN_Input_std_Atoms()
161 InitAngle1_Spin[Latomnum+i] = Angle1_Spin[Latomnum+i]; in TRAN_Input_std_Atoms()
286 &Angle0_Spin[i], &Angle1_Spin[i], in TRAN_Input_std_Atoms()
296 Angle1_Spin[i] = PI*Angle1_Spin[i]/180.0; in TRAN_Input_std_Atoms()
298 InitAngle1_Spin[i] = Angle1_Spin[i]; in TRAN_Input_std_Atoms()
319 Angle1_Spin[i] = S_coordinate[2]; in TRAN_Input_std_Atoms()
321 InitAngle1_Spin[i] = Angle1_Spin[i]; in TRAN_Input_std_Atoms()
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H A DTRAN_Input_std_Atoms2.c125 &Angle0_Spin[Latomnum+i], &Angle1_Spin[Latomnum+i], in TRAN_Input_std_Atoms()
135 Angle1_Spin[Latomnum+i] = PI*Angle1_Spin[Latomnum+i]/180.0; in TRAN_Input_std_Atoms()
137 InitAngle1_Spin[Latomnum+i] = Angle1_Spin[Latomnum+i]; in TRAN_Input_std_Atoms()
159 Angle1_Spin[Latomnum+i] = S_coordinate[2]; in TRAN_Input_std_Atoms()
161 InitAngle1_Spin[Latomnum+i] = Angle1_Spin[Latomnum+i]; in TRAN_Input_std_Atoms()
286 &Angle0_Spin[i], &Angle1_Spin[i], in TRAN_Input_std_Atoms()
296 Angle1_Spin[i] = PI*Angle1_Spin[i]/180.0; in TRAN_Input_std_Atoms()
298 InitAngle1_Spin[i] = Angle1_Spin[i]; in TRAN_Input_std_Atoms()
319 Angle1_Spin[i] = S_coordinate[2]; in TRAN_Input_std_Atoms()
321 InitAngle1_Spin[i] = Angle1_Spin[i]; in TRAN_Input_std_Atoms()
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H A DTRAN_Input_std_Atoms0.c118 &Angle0_Spin[i], &Angle1_Spin[i], in TRAN_Input_std_Atoms()
128 Angle1_Spin[i] = PI*Angle1_Spin[i]/180.0; in TRAN_Input_std_Atoms()
130 InitAngle1_Spin[i] = Angle1_Spin[i]; in TRAN_Input_std_Atoms()
151 Angle1_Spin[i] = S_coordinate[2]; in TRAN_Input_std_Atoms()
153 InitAngle1_Spin[i] = Angle1_Spin[i]; in TRAN_Input_std_Atoms()
247 Angle1_Spin[Latomnum+i] = PI*Angle1_Spin[Latomnum+i]/180.0; in TRAN_Input_std_Atoms()
249 InitAngle1_Spin[Latomnum+i] = Angle1_Spin[Latomnum+i]; in TRAN_Input_std_Atoms()
270 Angle1_Spin[Latomnum+i] = S_coordinate[2]; in TRAN_Input_std_Atoms()
272 InitAngle1_Spin[Latomnum+i] = Angle1_Spin[Latomnum+i]; in TRAN_Input_std_Atoms()
364 Angle1_Spin[Catomnum+Latomnum+i] = PI*Angle1_Spin[Catomnum+Latomnum+i]/180.0; in TRAN_Input_std_Atoms()
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H A DTRAN_Input_std_Atoms.c2125 &Angle0_Spin[Latomnum+i], &Angle1_Spin[Latomnum+i],
135 Angle1_Spin[Latomnum+i] = PI*Angle1_Spin[Latomnum+i]/180.0;
137 InitAngle1_Spin[Latomnum+i] = Angle1_Spin[Latomnum+i];
159 Angle1_Spin[Latomnum+i] = S_coordinate[2];
161 InitAngle1_Spin[Latomnum+i] = Angle1_Spin[Latomnum+i];
286 &Angle0_Spin[i], &Angle1_Spin[i],
296 Angle1_Spin[i] = PI*Angle1_Spin[i]/180.0;
298 InitAngle1_Spin[i] = Angle1_Spin[i];
319 Angle1_Spin[i] = S_coordinate[2];
321 InitAngle1_Spin[i] = Angle1_Spin[i];
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H A DMulliken_Charge.c234 Angle1_Spin[Gc_AN] = MulP[3]; in Mulliken_Charge()
245 phi[0] = Angle1_Spin[Gc_AN]; in Mulliken_Charge()
311 data[3] = Angle1_Spin[Gc_AN]; in Mulliken_Charge()
329 Angle1_Spin[Gc_AN] = data[3]; in Mulliken_Charge()
425 phi[0] = Angle1_Spin[Gc_AN]; in Mulliken_Charge()
448 Angle0_Spin[Gc_AN]/PI*180.0, Angle1_Spin[Gc_AN]/PI*180.0, in Mulliken_Charge()
563 Angle0_Spin[Gc_AN]/PI*180.0, Angle1_Spin[Gc_AN]/PI*180.0 ); in Mulliken_Charge()
H A Diterout.c106 angle1 = Angle1_Spin[k]/PI*180.0; in iterout()
H A DAllocate_Arrays.c190 Angle1_Spin = (double*)malloc(sizeof(double)*(atomnum+1)); in Allocate_Arrays()
201 Angle1_Spin[i] = 0.0; in Allocate_Arrays()
H A DDosMain.c103 double **Angle0_Spin, double **Angle1_Spin,
131 double *Angle0_Spin,*Angle1_Spin; in main() local
155 &Angle0_Spin, &Angle1_Spin, in main()
2647 double **Angle0_Spin, double **Angle1_Spin, in input_file_eg() argument
2763 *Angle1_Spin = (double*)malloc(sizeof(double)*(*atomnum)); in input_file_eg()
2867 *Angle1_Spin = (double*)malloc(sizeof(double)*(*atomnum)); in input_file_eg()
H A DInput_std.c1211 &Angle0_Spin[i], &Angle1_Spin[i], in Input_std()
1223 Angle1_Spin[i] = PI*Angle1_Spin[i]/180.0; in Input_std()
1225 InitAngle1_Spin[i] = Angle1_Spin[i]; in Input_std()
1251 Angle1_Spin[i] = S_coordinate[2]; in Input_std()
1253 InitAngle1_Spin[i] = Angle1_Spin[i]; in Input_std()
H A DCluster_DFT_Dosout.c993 fprintf(fp_eig,"%lf %lf\n",Angle0_Spin[i],Angle1_Spin[i]); in Cluster_NonCol_Dosout()
1331 phi = Angle1_Spin[GA_AN]; in Cluster_NonCol_Dosout()
H A DSet_Aden_Grid.c387 phi = Angle1_Spin[Gc_AN]; in Set_Aden_Grid()
H A DCluster_DFT_ScaLAPACK.c2904 #pragma omp parallel shared(SD,Angle1_Spin,Angle0_Spin,S,k,C,natn,FNAN,MP,Spe_Total_CNO,WhatSpecies… in Save_DOS_NonCol()
2961 phi = Angle1_Spin[GA_AN]; in Save_DOS_NonCol()
3063 fprintf(fp_eig,"%lf %lf\n",Angle0_Spin[i],Angle1_Spin[i]); in Save_DOS_NonCol()
H A DCluster_DFT.c2973 #pragma omp parallel shared(SD,Angle1_Spin,Angle0_Spin,S,k,C,natn,FNAN,MP,Spe_Total_CNO,WhatSpecies… in Save_DOS_NonCol()
3030 phi = Angle1_Spin[GA_AN]; in Save_DOS_NonCol()
3132 fprintf(fp_eig,"%lf %lf\n",Angle0_Spin[i],Angle1_Spin[i]); in Save_DOS_NonCol()
H A DDivide_Conquer_Dosout.c1905 fprintf(fp_eig,"%lf %lf\n",Angle0_Spin[i],Angle1_Spin[i]); in DC_Dosout_NonCol()
1939 phi = Angle1_Spin[Gc_AN]; in DC_Dosout_NonCol()
H A Dopenmx_common.h354 double *Angle1_Spin; variable
H A DBand_DFT_Dosout.c2155 phi = Angle1_Spin[GA_AN]; in Band_DFT_DosoutGauss_NonCol()
2475 fprintf(fp_eig,"%lf %lf\n",Angle0_Spin[i],Angle1_Spin[i]); in Band_DFT_DosoutGauss_NonCol()
4872 fprintf(fp_eig,"%lf %lf\n",Angle0_Spin[i],Angle1_Spin[i]); in Band_DFT_Dosout_NonCol()
5244 phi = Angle1_Spin[GA_AN]; in Band_DFT_Dosout_NonCol()
H A DDivide_Conquer.c3153 phi = Angle1_Spin[Gc_AN]; in Save_DOS_NonCol()
3255 fprintf(fp_eig,"%lf %lf\n",Angle0_Spin[i],Angle1_Spin[i]); in Save_DOS_NonCol()
H A DFree_Arrays.c2542 free(Angle1_Spin); in array0()
H A DEC.c5679 phi = Angle1_Spin[Gc_AN]; in Save_DOS_NonCol()
5781 fprintf(fp_eig,"%lf %lf\n",Angle0_Spin[i],Angle1_Spin[i]); in Save_DOS_NonCol()
H A DOutData_Binary.c382 phi = Angle1_Spin[ct_AN]; in out_density()
H A DOutData.c368 phi = Angle1_Spin[ct_AN]; in out_density()
H A DMD_pac.c7550 Angle0_Spin[k]/PI*180.0, Angle1_Spin[k]/PI*180.0); in Output_abc_file()