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Searched refs:dVHart_Grid_B (Results 1 – 13 of 13) sorted by relevance

/dports/science/openmx/openmx3.8/source/
H A DSet_Vpot.c163 Vpot_Grid_B[spin][MN] = F_dVHart_flag*dVHart_Grid_B[MN] in Set_Vpot()
173 Vpot_Grid_B[spin][MN] = F_dVHart_flag*dVHart_Grid_B[MN] in Set_Vpot()
187 Vpot_Grid_B[spin][MN] = F_dVHart_flag*dVHart_Grid_B[MN] in Set_Vpot()
197 Vpot_Grid_B[spin][MN] = F_dVHart_flag*dVHart_Grid_B[MN] in Set_Vpot()
225 Vpot_Grid_B[spin][MN] = F_dVHart_flag*dVHart_Grid_B[MN] in Set_Vpot()
235 Vpot_Grid_B[spin][MN] = F_dVHart_flag*dVHart_Grid_B[MN] in Set_Vpot()
248 Vpot_Grid_B[spin][MN] = F_dVHart_flag*dVHart_Grid_B[MN] in Set_Vpot()
257 Vpot_Grid_B[spin][MN] = F_dVHart_flag*dVHart_Grid_B[MN] in Set_Vpot()
H A DTRAN_Poisson.c148 Get_Value_inReal(0,dVHart_Grid_B,NULL,ReRhok,ImRhok); in TRAN_Poisson_FFT()
168 if (i==0) MySum_dV0 += dVHart_Grid_B[BN_AB]; in TRAN_Poisson_FFT()
169 else if (i==(Ngrid1-1)) MySum_dV1 += dVHart_Grid_B[BN_AB]; in TRAN_Poisson_FFT()
221 dVHart_Grid_B[BN_AB] += v; in TRAN_Poisson_FFT()
253 dVHart_Grid_B[BN_AB] += gateV; in TRAN_Poisson_FFT()
380 Get_Value_inReal2D(0,dVHart_Grid_B,NULL,ReRhok,ImRhok); in TRAN_Poisson_FD()
411 dVHart_Grid_B[BN_AB] += gateV; in TRAN_Poisson_FD()
1295 Get_Value_inReal1D(0,dVHart_Grid_B,NULL,ReRhok,ImRhok); in TRAN_Poisson_FDG()
H A DPoisson.c106 Get_Value_inReal(0,dVHart_Grid_B,dVHart_Grid_B,ReRhok,ImRhok); in Poisson()
H A DTRAN_Output_HKS.c502 dVHart_Grid_B,NULL,NULL,fp); in TRAN_Output_HKS()
H A DPoisson_ESM.c851 Get_Value_inReal(0,dVHart_Grid_B,dVHart_Grid_B,ReRhok,ImRhok); in Poisson_ESM()
H A Dopenmx_common.h1091 double *dVHart_Grid_B; variable
H A DTotal_Energy.c1579 My_EH1 += (tden - 2.0*aden)*dVHart_Grid_B[BN]; in Calc_EXC_EH1()
2143 Vpot_Grid_B[0][MN] = 0.5*dVHart_Grid_B[MN]; in Calc_EXC_EH1()
H A DFree_Arrays.c147 free(dVHart_Grid_B); in array0()
H A Dtruncation.c2963 dVHart_Grid_B = (double*)malloc(sizeof(double)*My_Max_NumGridB); in truncation()
2964 for (i=0; i<My_Max_NumGridB; i++) dVHart_Grid_B[i] = 0.0; in truncation()
7163 free(dVHart_Grid_B); in free_arrays_truncation0()
H A DOutData_Binary.c483 Print_CubeData(fp,file1,dVHart_Grid_B,NULL,NULL); in out_Vhart()
H A DOutData.c465 Print_CubeData(fp,file1,dVHart_Grid_B,NULL,NULL); in out_Vhart()
H A DForce.c697 Data_Grid_Copy_B2C_1( dVHart_Grid_B, dVHart_Grid ); in Force()
H A DStress.c703 Data_Grid_Copy_B2C_1( dVHart_Grid_B, dVHart_Grid ); in Stress()