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Searched refs:TNumGrid (Results 1 – 12 of 12) sorted by relevance

/dports/science/openmx/openmx3.8/source/
H A DTRAN_Channel_Output.c429 MO_Grid = (dcomplex*)malloc(sizeof(dcomplex)*TNumGrid); in TRAN_Output_ChannelCube()
430 RMO_Grid = (double*)malloc(sizeof(double)*TNumGrid); in TRAN_Output_ChannelCube()
431 IMO_Grid = (double*)malloc(sizeof(double)*TNumGrid); in TRAN_Output_ChannelCube()
432 RMO_Grid_tmp = (double*)malloc(sizeof(double)*TNumGrid); in TRAN_Output_ChannelCube()
433 IMO_Grid_tmp = (double*)malloc(sizeof(double)*TNumGrid); in TRAN_Output_ChannelCube()
437 for (GN = 0; GN < TNumGrid; GN++){ in TRAN_Output_ChannelCube()
472 MPI_Reduce(&RMO_Grid_tmp[0], &RMO_Grid[0], TNumGrid, MPI_DOUBLE, in TRAN_Output_ChannelCube()
474 MPI_Reduce(&IMO_Grid_tmp[0], &IMO_Grid[0], TNumGrid, MPI_DOUBLE, in TRAN_Output_ChannelCube()
477 for (GN = 0; GN < TNumGrid; GN++){ in TRAN_Output_ChannelCube()
H A DOutData.c868 for (N=0; N<TNumGrid; N++){ in out_grid()
1087 for (GN=0; GN<TNumGrid; GN++) MO_Grid_tmp[GN] = 0.0; in out_Cluster_MO()
1157 for (GN=0; GN<TNumGrid; GN++) MO_Grid_tmp[GN] = 0.0; in out_Cluster_MO()
1687 for (GN=0; GN<TNumGrid; GN++){ in out_Cluster_NC_MO()
1712 for (GN=0; GN<TNumGrid; GN++){ in out_Cluster_NC_MO()
1769 for (GN=0; GN<TNumGrid; GN++){ in out_Cluster_NC_MO()
1794 for (GN=0; GN<TNumGrid; GN++){ in out_Cluster_NC_MO()
1918 for (GN=0; GN<TNumGrid; GN++){ in out_Bulk_MO()
1956 for (GN=0; GN<TNumGrid; GN++){ in out_Bulk_MO()
2023 for (GN=0; GN<TNumGrid; GN++){ in out_Bulk_MO()
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H A DTRAN_CDen_Main.c171 for (GN = 0; GN < TNumGrid; GN++){ in TRAN_Current_dOrb()
465 for (i = 0; i < TNumGrid; i++) Rho[i] = 0.0; in TRAN_Poisson_Current()
658 for (i = 0; i < TNumGrid; i++){ in TRAN_Current_Spin()
766 CDensity0 = (double*)malloc(sizeof(double)*(TNumGrid)); in TRAN_Current_OutPutCube()
806 for (igrid = 0; igrid < TNumGrid; igrid++) in TRAN_Current_OutPutCube()
1010 curindx = (int*)malloc(sizeof(int)*TNumGrid); in TRAN_Current_OutputVector()
1016 for (i = 0; i < TNumGrid; i++){ in TRAN_Current_OutputVector()
1226 for (GN = 0; GN < TNumGrid; GN++) { in TRAN_Output_AveCdensity()
1276 for (i = 0; i < TNumGrid; i++){ in TRAN_CDen_Main()
1282 RRho = (double*)malloc(sizeof(double)*(TNumGrid)); in TRAN_CDen_Main()
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H A DOutData_Binary.c1138 MO_Grid_tmp = (double*)malloc(sizeof(double)*TNumGrid); in out_Cluster_MO()
1139 MO_Grid = (double*)malloc(sizeof(double)*TNumGrid); in out_Cluster_MO()
1151 for (GN=0; GN<TNumGrid; GN++) MO_Grid_tmp[GN] = 0.0; in out_Cluster_MO()
1222 for (GN=0; GN<TNumGrid; GN++) MO_Grid_tmp[GN] = 0.0; in out_Cluster_MO()
1319 RMO_Grid_tmp = (double*)malloc(sizeof(double)*TNumGrid); in out_Cluster_NC_MO()
1333 for (GN=0; GN<TNumGrid; GN++){ in out_Cluster_NC_MO()
1410 for (GN=0; GN<TNumGrid; GN++){ in out_Cluster_NC_MO()
1526 RMO_Grid = (double*)malloc(sizeof(double)*TNumGrid); in out_Bulk_MO()
1527 IMO_Grid = (double*)malloc(sizeof(double)*TNumGrid); in out_Bulk_MO()
1550 for (GN=0; GN<TNumGrid; GN++){ in out_Bulk_MO()
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H A Dopenmx.c656 Orbs_Grid, TNumGrid ); in main()
661 Orbs_Grid, TNumGrid ); in main()
H A DRuntest.c549 Orbs_Grid, TNumGrid); in run_main()
554 Orbs_Grid, TNumGrid); in run_main()
H A Dtran_prototypes.h698 int TNumGrid);
708 int TNumGrid );
H A DGenerate_Wannier.c10009 for (GN=0; GN<TNumGrid*ncell; GN++){ in OutData_WF()
10079 for (GN=0; GN<TNumGrid*ncell; GN++){ in OutData_WF()
10103 for (GN=0; GN<TNumGrid*ncell; GN++){ in OutData_WF()
10114 for (GN=0; GN<TNumGrid*ncell; GN++){ in OutData_WF()
10373 RMO_Grid0 = (double*)malloc(sizeof(double)*TNumGrid); in Calc_SpinDirection_WF()
10374 IMO_Grid0 = (double*)malloc(sizeof(double)*TNumGrid); in Calc_SpinDirection_WF()
10375 RMO_Grid1 = (double*)malloc(sizeof(double)*TNumGrid); in Calc_SpinDirection_WF()
10376 IMO_Grid1 = (double*)malloc(sizeof(double)*TNumGrid); in Calc_SpinDirection_WF()
10378 RMO_Grid0_tmp = (double*)malloc(sizeof(double)*TNumGrid); in Calc_SpinDirection_WF()
10402 for (GN=0; GN<TNumGrid; GN++){ in Calc_SpinDirection_WF()
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H A Dopenmx_common.h2445 int TNumGrid,Kspace_grid1,Kspace_grid2,Kspace_grid3; variable
H A DTRAN_Main_Analysis.c424 int TNumGrid ) in TRAN_Main_Analysis() argument
H A DTRAN_Main_Analysis_NC.c423 int TNumGrid ) in TRAN_Main_Analysis_NC() argument
H A Dtruncation.c4240 TNumGrid = Ngrid1*Ngrid2*Ngrid3; in UCell_Box()