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Searched refs:My_NZeros (Results 1 – 16 of 16) sorted by relevance

/dports/science/openmx/openmx3.8/source/
H A DHamiltonian_Cluster.c27 int *My_NZeros; in Hamiltonian_Cluster() local
43 My_NZeros = (int*)malloc(sizeof(int)*numprocs); in Hamiltonian_Cluster()
52 My_NZeros[myid] = 0; in Hamiltonian_Cluster()
66 My_NZeros[myid] += tnoA*num; in Hamiltonian_Cluster()
70 MPI_Bcast(&My_NZeros[ID],1,MPI_INT,ID,mpi_comm_level1); in Hamiltonian_Cluster()
75 tnum += My_NZeros[ID]; in Hamiltonian_Cluster()
79 ie1[0] = My_NZeros[0] - 1; in Hamiltonian_Cluster()
83 ie1[ID] = is1[ID] + My_NZeros[ID] - 1; in Hamiltonian_Cluster()
142 MPI_Bcast(&H1[k], My_NZeros[ID], MPI_DOUBLE, ID, mpi_comm_level1); in Hamiltonian_Cluster()
179 free(My_NZeros); in Hamiltonian_Cluster()
H A DOverlap_Cluster.c27 int *My_NZeros; in Overlap_Cluster() local
43 My_NZeros = (int*)malloc(sizeof(int)*numprocs); in Overlap_Cluster()
52 My_NZeros[myid] = 0; in Overlap_Cluster()
66 My_NZeros[myid] += tnoA*num; in Overlap_Cluster()
71 MPI_Bcast(&My_NZeros[ID],1,MPI_INT,ID,mpi_comm_level1); in Overlap_Cluster()
76 tnum += My_NZeros[ID]; in Overlap_Cluster()
80 ie1[0] = My_NZeros[0] - 1; in Overlap_Cluster()
84 ie1[ID] = is1[ID] + My_NZeros[ID] - 1; in Overlap_Cluster()
147 MPI_Bcast(&S1[k], My_NZeros[ID], MPI_DOUBLE, ID, mpi_comm_level1); in Overlap_Cluster()
184 free(My_NZeros); in Overlap_Cluster()
H A DGet_OneD_HS_Col.c23 int *order_GA, int *My_NZeros, int *is1, int *is2) in Get_OneD_HS_Col() argument
51 My_NZeros[myid] = 0; in Get_OneD_HS_Col()
65 My_NZeros[myid] += tnoA*num; in Get_OneD_HS_Col()
69 MPI_Bcast(&My_NZeros[ID],1,MPI_INT,ID,mpi_comm_level1); in Get_OneD_HS_Col()
74 tnum += My_NZeros[ID]; in Get_OneD_HS_Col()
78 ie1[0] = My_NZeros[0] - 1; in Get_OneD_HS_Col()
82 ie1[ID] = is1[ID] + My_NZeros[ID] - 1; in Get_OneD_HS_Col()
143 MPI_Bcast(&H1[k], My_NZeros[ID], MPI_DOUBLE, ID, mpi_comm_level1); in Get_OneD_HS_Col()
H A DHamiltonian_Cluster_Hs.c36 int *My_NZeros; in Hamiltonian_Cluster_Hs() local
55 My_NZeros = (int*)malloc(sizeof(int)*numprocs); in Hamiltonian_Cluster_Hs()
64 My_NZeros[myid] = 0; in Hamiltonian_Cluster_Hs()
78 My_NZeros[myid] += tnoA*num; in Hamiltonian_Cluster_Hs()
82 MPI_Bcast(&My_NZeros[ID],1,MPI_INT,ID,mpi_comm_level1); in Hamiltonian_Cluster_Hs()
87 tnum += My_NZeros[ID]; in Hamiltonian_Cluster_Hs()
91 ie1[0] = My_NZeros[0] - 1; in Hamiltonian_Cluster_Hs()
95 ie1[ID] = is1[ID] + My_NZeros[ID] - 1; in Hamiltonian_Cluster_Hs()
154 MPI_Bcast(&H1[k], My_NZeros[ID], MPI_DOUBLE, ID, mpi_comm_level1); in Hamiltonian_Cluster_Hs()
221 free(My_NZeros); in Hamiltonian_Cluster_Hs()
H A DHamiltonian_Cluster_NC.c28 int *My_NZeros; in Hamiltonian_Cluster_NC() local
44 My_NZeros = (int*)malloc(sizeof(int)*numprocs); in Hamiltonian_Cluster_NC()
53 My_NZeros[myid] = 0; in Hamiltonian_Cluster_NC()
67 My_NZeros[myid] += tnoA*num; in Hamiltonian_Cluster_NC()
71 MPI_Bcast(&My_NZeros[ID],1,MPI_INT,ID,mpi_comm_level1); in Hamiltonian_Cluster_NC()
76 tnum += My_NZeros[ID]; in Hamiltonian_Cluster_NC()
80 ie1[0] = My_NZeros[0] - 1; in Hamiltonian_Cluster_NC()
84 ie1[ID] = is1[ID] + My_NZeros[ID] - 1; in Hamiltonian_Cluster_NC()
254 MPI_Bcast(&H1[k], My_NZeros[ID], MPI_DOUBLE, ID, mpi_comm_level1); in Hamiltonian_Cluster_NC()
525 free(My_NZeros); in Hamiltonian_Cluster_NC()
H A DBand_DFT_MO.c60 int *MP,*order_GA,*My_NZeros,*SP_NZeros,*SP_Atoms; in Band_DFT_MO_Col() local
109 My_NZeros = (int*)malloc(sizeof(int)*numprocs); in Band_DFT_MO_Col()
195 size_H1 = Get_OneD_HS_Col(0, CntOLP, &tmp, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Band_DFT_MO_Col()
205 size_H1 = Get_OneD_HS_Col(1, CntOLP, S1, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Band_DFT_MO_Col()
802 free(My_NZeros); in Band_DFT_MO_Col()
867 int *My_NZeros; in Band_DFT_MO_NonCol() local
944 My_NZeros = (int*)malloc(sizeof(int)*numprocs); in Band_DFT_MO_NonCol()
1069 size_H1 = Get_OneD_HS_Col(1, CntOLP, S1, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Band_DFT_MO_NonCol()
1070 size_H1 = Get_OneD_HS_Col(1, nh[0], RH0, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Band_DFT_MO_NonCol()
1071 size_H1 = Get_OneD_HS_Col(1, nh[1], RH1, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Band_DFT_MO_NonCol()
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H A DBand_DFT_Col.c100 int *My_NZeros; in Band_DFT_Col() local
250 My_NZeros = (int*)malloc(sizeof(int)*numprocs0); in Band_DFT_Col()
640 size_H1 = Get_OneD_HS_Col(1, nh[0], H1, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Band_DFT_Col()
643 size_H1 = Get_OneD_HS_Col(1, nh[0], H1, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Band_DFT_Col()
644 size_H1 = Get_OneD_HS_Col(1, nh[1], CDM1, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Band_DFT_Col()
1565 if (MPI_CDM1_flag[ID] && SP_NZeros[ID]<=k && k<(SP_NZeros[ID]+My_NZeros[ID])) po = 1; in Band_DFT_Col()
1690 MPI_Isend(&H1[k], My_NZeros[IDR], MPI_DOUBLE, IDR, tag, mpi_comm_level1, &request); in Band_DFT_Col()
1694 MPI_Recv(&CDM1[k], My_NZeros[IDR], MPI_DOUBLE, IDS, tag, mpi_comm_level1, &stat); in Band_DFT_Col()
1704 MPI_Isend(&S1[k], My_NZeros[IDR], MPI_DOUBLE, IDR, tag, mpi_comm_level1, &request); in Band_DFT_Col()
1708 MPI_Recv(&EDM1[k], My_NZeros[IDR], MPI_DOUBLE, IDS, tag, mpi_comm_level1, &stat); in Band_DFT_Col()
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H A DTRAN_DFT.c90 int *order_GA, int *My_NZeros, int *is1, int *is2);
244 int *My_NZeros; in TRAN_DFT() local
303 My_NZeros = (int*)malloc(sizeof(int)*numprocs0); in TRAN_DFT()
329 size_H1 = Get_OneD_HS_Col(0, nh[0], &tmp, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in TRAN_DFT()
499 free(My_NZeros); in TRAN_DFT()
634 int *My_NZeros; in TRAN_DFT_Original() local
853 My_NZeros = (int*)malloc(sizeof(int)*numprocs0); in TRAN_DFT_Original()
857 size_H1 = Get_OneD_HS_Col(0, nh[0], &tmp, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in TRAN_DFT_Original()
875 size_H1 = Get_OneD_HS_Col(1, nh[k], H1[k], MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in TRAN_DFT_Original()
878 size_H1 = Get_OneD_HS_Col(1, CntOLP, S1, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in TRAN_DFT_Original()
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H A DBand_DFT_Col_ScaLAPACK.c154 int *My_NZeros; in Band_DFT_Col_ScaLAPACK() local
323 My_NZeros = (int*)malloc(sizeof(int)*numprocs0); in Band_DFT_Col_ScaLAPACK()
717 size_H1 = Get_OneD_HS_Col(1, nh[0], H1, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Band_DFT_Col_ScaLAPACK()
720 size_H1 = Get_OneD_HS_Col(1, nh[0], H1, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Band_DFT_Col_ScaLAPACK()
721 size_H1 = Get_OneD_HS_Col(1, nh[1], CDM1, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Band_DFT_Col_ScaLAPACK()
1485 if (MPI_CDM1_flag[ID] && SP_NZeros[ID]<=k && k<(SP_NZeros[ID]+My_NZeros[ID])) po = 1; in Band_DFT_Col_ScaLAPACK()
1622 MPI_Isend(&H1[k], My_NZeros[IDR], MPI_DOUBLE, IDR, tag, mpi_comm_level1, &request); in Band_DFT_Col_ScaLAPACK()
1626 MPI_Recv(&CDM1[k], My_NZeros[IDR], MPI_DOUBLE, IDS, tag, mpi_comm_level1, &stat); in Band_DFT_Col_ScaLAPACK()
1640 MPI_Isend(&S1[k], My_NZeros[IDR], MPI_DOUBLE, IDR, tag, mpi_comm_level1, &request); in Band_DFT_Col_ScaLAPACK()
1644 MPI_Recv(&EDM1[k], My_NZeros[IDR], MPI_DOUBLE, IDS, tag, mpi_comm_level1, &stat); in Band_DFT_Col_ScaLAPACK()
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H A DTRAN_DFT_Dosout.c29 int *order_GA, int *My_NZeros, int *is1, int *is2);
533 int *My_NZeros; in TRAN_DFT_Dosout_NC() local
693 My_NZeros = (int*)malloc(sizeof(int)*numprocs0); in TRAN_DFT_Dosout_NC()
697 size_H1 = Get_OneD_HS_Col(0, nh[0], &tmp, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in TRAN_DFT_Dosout_NC()
719 size_H1 = Get_OneD_HS_Col(1, CntOLP, S1, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in TRAN_DFT_Dosout_NC()
928 free(My_NZeros); in TRAN_DFT_Dosout_NC()
1449 int *My_NZeros; in TRAN_DFT_Dosout_Col() local
1625 My_NZeros = (int*)malloc(sizeof(int)*numprocs0); in TRAN_DFT_Dosout_Col()
1629 size_H1 = Get_OneD_HS_Col(0, nh[0], &tmp, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in TRAN_DFT_Dosout_Col()
1642 size_H1 = Get_OneD_HS_Col(1, CntOLP, S1, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in TRAN_DFT_Dosout_Col()
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H A DBand_DFT_NonCol.c126 int *My_NZeros; in Band_DFT_NonCol() local
261 My_NZeros = (int*)malloc(sizeof(int)*numprocs0); in Band_DFT_NonCol()
682 size_H1 = Get_OneD_HS_Col(0, CntOLP, &tmp, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Band_DFT_NonCol()
695 size_H1 = Get_OneD_HS_Col(1, CntOLP, S1, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Band_DFT_NonCol()
696 size_H1 = Get_OneD_HS_Col(1, nh[0], RH0, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Band_DFT_NonCol()
697 size_H1 = Get_OneD_HS_Col(1, nh[1], RH1, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Band_DFT_NonCol()
698 size_H1 = Get_OneD_HS_Col(1, nh[2], RH2, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Band_DFT_NonCol()
699 size_H1 = Get_OneD_HS_Col(1, nh[3], RH3, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Band_DFT_NonCol()
707 size_H1 = Get_OneD_HS_Col(1, ImNL[0], IH0, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Band_DFT_NonCol()
1590 if (MPI_CDM1_flag[ID] && SP_NZeros[ID]<=k && k<(SP_NZeros[ID]+My_NZeros[ID])) po = 1; in Band_DFT_NonCol()
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H A DTRAN_DFT_NC.c62 int *order_GA, int *My_NZeros, int *is1, int *is2);
277 int *My_NZeros; in TRAN_DFT_Original() local
483 My_NZeros = (int*)malloc(sizeof(int)*numprocs0); in TRAN_DFT_Original()
487 size_H1 = Get_OneD_HS_Col(0, nh[0], &tmp, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in TRAN_DFT_Original()
519 size_H1 = Get_OneD_HS_Col(1, nh[k], H1[k], MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in TRAN_DFT_Original()
524 size_H1 = Get_OneD_HS_Col(1, ImNL[k], H2[k], MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in TRAN_DFT_Original()
527 size_H1 = Get_OneD_HS_Col(1, CntOLP, S1, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in TRAN_DFT_Original()
814 free(My_NZeros); in TRAN_DFT_Original()
H A DCluster_DFT_ON2.c3153 int *My_NZeros; in Cluster_collinear_ON2_Force() local
3289 My_NZeros[myid] = 0; in Cluster_collinear_ON2_Force()
3303 My_NZeros[myid] += tnoA*num; in Cluster_collinear_ON2_Force()
3312 tnum += My_NZeros[ID]; in Cluster_collinear_ON2_Force()
3316 ie1[0] = My_NZeros[0] - 1; in Cluster_collinear_ON2_Force()
3448 free(My_NZeros); in Cluster_collinear_ON2_Force()
3715 int *My_NZeros; in Cluster_collinear_ON2_Iter() local
3851 My_NZeros[myid] = 0; in Cluster_collinear_ON2_Iter()
3874 tnum += My_NZeros[ID]; in Cluster_collinear_ON2_Iter()
3878 ie1[0] = My_NZeros[0] - 1; in Cluster_collinear_ON2_Iter()
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H A DUnfolding_Bands.c102 int *MP,*order_GA,*My_NZeros,*SP_NZeros,*SP_Atoms; in Unfolding_Bands_Col() local
207 My_NZeros = (int*)malloc(sizeof(int)*numprocs); in Unfolding_Bands_Col()
290 size_H1 = Get_OneD_HS_Col(0, CntOLP, &tmp, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Unfolding_Bands_Col()
300 size_H1 = Get_OneD_HS_Col(1, CntOLP, S1, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Unfolding_Bands_Col()
1174 free(My_NZeros); in Unfolding_Bands_Col()
1258 int *My_NZeros; in Unfolding_Bands_NonCol() local
1390 My_NZeros = (int*)malloc(sizeof(int)*numprocs); in Unfolding_Bands_NonCol()
1512 size_H1 = Get_OneD_HS_Col(1, CntOLP, S1, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Unfolding_Bands_NonCol()
1513 size_H1 = Get_OneD_HS_Col(1, nh[0], RH0, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Unfolding_Bands_NonCol()
1514 size_H1 = Get_OneD_HS_Col(1, nh[1], RH1, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in Unfolding_Bands_NonCol()
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H A DDFT.c82 int *My_NZeros; in DFT() local
165 My_NZeros = (int*)malloc(sizeof(int)*numprocs0); in DFT()
195 size_H1 = Get_OneD_HS_Col(0, H[0], &tmp, MP, order_GA, My_NZeros, SP_NZeros, SP_Atoms); in DFT()
2699 free(My_NZeros); in DFT()
H A Dopenmx_common.h2703 int *order_GA, int *My_NZeros, int *is1, int *is2);