/dports/science/openmx/openmx3.8/source/ |
H A D | TRAN_Input_std_Atoms.c | 125 &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() [all …]
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H A D | TRAN_Input_std_Atoms2.c | 125 &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() [all …]
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H A D | TRAN_Input_std_Atoms0.c | 118 &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() [all …]
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H A D | TRAN_Input_std_Atoms.c2 | 125 &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]; [all …]
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H A D | Mulliken_Charge.c | 234 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()
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H A D | iterout.c | 106 angle1 = Angle1_Spin[k]/PI*180.0; in iterout()
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H A D | Allocate_Arrays.c | 190 Angle1_Spin = (double*)malloc(sizeof(double)*(atomnum+1)); in Allocate_Arrays() 201 Angle1_Spin[i] = 0.0; in Allocate_Arrays()
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H A D | DosMain.c | 103 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()
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H A D | Input_std.c | 1211 &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()
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H A D | Cluster_DFT_Dosout.c | 993 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()
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H A D | Set_Aden_Grid.c | 387 phi = Angle1_Spin[Gc_AN]; in Set_Aden_Grid()
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H A D | Cluster_DFT_ScaLAPACK.c | 2904 #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()
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H A D | Cluster_DFT.c | 2973 #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()
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H A D | Divide_Conquer_Dosout.c | 1905 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()
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H A D | openmx_common.h | 354 double *Angle1_Spin; variable
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H A D | Band_DFT_Dosout.c | 2155 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()
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H A D | Divide_Conquer.c | 3153 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()
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H A D | Free_Arrays.c | 2542 free(Angle1_Spin); in array0()
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H A D | EC.c | 5679 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()
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H A D | OutData_Binary.c | 382 phi = Angle1_Spin[ct_AN]; in out_density()
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H A D | OutData.c | 368 phi = Angle1_Spin[ct_AN]; in out_density()
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H A D | MD_pac.c | 7550 Angle0_Spin[k]/PI*180.0, Angle1_Spin[k]/PI*180.0); in Output_abc_file()
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