/dports/science/openmx/openmx3.8/source/ |
H A D | Initial_CntCoes.c | 181 if (F_Rcv_Num[IDR]!=0){ in Initial_CntCoes() 253 if (F_Rcv_Num[IDR]!=0){ in Initial_CntCoes() 265 for (n=0; n<F_Rcv_Num[IDR]; n++){ in Initial_CntCoes() 342 if (F_Rcv_Num[IDR]!=0){ in Initial_CntCoes() 412 if (F_Rcv_Num[IDR]!=0){ in Initial_CntCoes() 423 for (n=0; n<F_Rcv_Num[IDR]; n++){ in Initial_CntCoes() 1371 if (F_Rcv_Num[IDR]!=0){ in Initial_CntCoes() 1433 if (F_Rcv_Num[IDR]!=0){ in Initial_CntCoes() 1444 for (n=0; n<F_Rcv_Num[IDR]; n++){ in Initial_CntCoes()
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H A D | Initial_CntCoes2.c | 197 if (F_Rcv_Num[IDR]!=0){ in Initial_CntCoes2() 269 if (F_Rcv_Num[IDR]!=0){ in Initial_CntCoes2() 281 for (n=0; n<F_Rcv_Num[IDR]; n++){ in Initial_CntCoes2() 358 if (F_Rcv_Num[IDR]!=0){ in Initial_CntCoes2() 428 if (F_Rcv_Num[IDR]!=0){ in Initial_CntCoes2() 439 for (n=0; n<F_Rcv_Num[IDR]; n++){ in Initial_CntCoes2() 1435 if (F_Rcv_Num[IDR]!=0){ in Initial_CntCoes2() 1497 if (F_Rcv_Num[IDR]!=0){ in Initial_CntCoes2() 1508 for (n=0; n<F_Rcv_Num[IDR]; n++){ in Initial_CntCoes2()
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H A D | Divide_Conquer_Dosout.c | 278 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_Dosout_Col() 350 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_Dosout_Col() 362 for (n=0; n<(F_Rcv_Num[IDR]+S_Rcv_Num[IDR]); n++){ in DC_Dosout_Col() 440 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_Dosout_Col() 509 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_Dosout_Col() 520 for (n=0; n<(F_Rcv_Num[IDR]+S_Rcv_Num[IDR]); n++){ in DC_Dosout_Col() 1239 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_Dosout_NonCol() 1311 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_Dosout_NonCol() 1401 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_Dosout_NonCol() 1470 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_Dosout_NonCol() [all …]
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H A D | Divide_Conquer.c | 347 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_Col() 419 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_Col() 511 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_Col() 580 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_Col() 1719 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_NonCol() 1791 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_NonCol() 1889 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_NonCol() 1961 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_NonCol() 1973 for (n=0; n<(F_Rcv_Num[IDR]+S_Rcv_Num[IDR]); n++){ in DC_NonCol() 2054 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_NonCol() [all …]
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H A D | EC.c | 234 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in EC_Col3() 308 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in EC_Col3() 407 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in EC_Col3() 1657 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in EC_Col2() 1830 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in EC_Col2() 2884 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in EC_Col() 3057 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in EC_Col() 4245 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_NonCol() 4317 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_NonCol() 4415 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in DC_NonCol() [all …]
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H A D | Force_HNL.c | 160 if ( 0<(F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]) ){ in Force_HNL() 225 if ( 0<(F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]) ){ in Force_HNL() 396 if ( 0<(F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]) ) po += F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]; in Force_HNL()
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H A D | Eff_Hub_Pot.c | 288 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in H_U_full() 357 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in H_U_full() 368 for (n=0; n<(F_Rcv_Num[IDR]+S_Rcv_Num[IDR]); n++){ in H_U_full()
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H A D | truncation.c | 4691 if (F_Rcv_Num[IDR]!=0){ in UCell_Box() 4693 for (i=0; i<F_Rcv_Num[IDR]; i++){ in UCell_Box() 4725 if (F_Rcv_Num[IDR]!=0){ in UCell_Box() 4727 for (i=0; i<F_Rcv_Num[IDR]; i++){ in UCell_Box() 7468 F_Rcv_Num[ID] = 0; in Set_Inf_SndRcv() 7491 F_Rcv_Num[ID1]++; in Set_Inf_SndRcv() 7549 F_Rcv_Num[ID] = 0; in Set_Inf_SndRcv() 7569 F_Rcv_Num[ID1]++; in Set_Inf_SndRcv() 7771 if (F_Rcv_Num[ID]!=0 && ID!=myid){ in Set_Inf_SndRcv() 7773 Num = Num + F_Rcv_Num[ID]; in Set_Inf_SndRcv() [all …]
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H A D | Orbital_Moment.c | 216 if (F_Rcv_Num[IDR]!=0){ in OM_dual() 283 if (F_Rcv_Num[IDR]!=0){ in OM_dual() 295 for (n=0; n<F_Rcv_Num[IDR]; n++){ in OM_dual()
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H A D | Occupation_Number_LDA_U.c | 620 if (F_Rcv_Num[IDR]!=0){ in occupation_full() 689 if (F_Rcv_Num[IDR]!=0){ in occupation_full() 982 if (F_Rcv_Num[IDR]!=0){ in occupation_full() 1050 if (F_Rcv_Num[IDR]!=0){ in occupation_full() 1774 if (F_Rcv_Num[IDR]!=0){ in occupation_dual() 1842 if (F_Rcv_Num[IDR]!=0){ in occupation_dual() 1989 if (F_Rcv_Num[IDR]!=0){ in occupation_dual() 2057 if (F_Rcv_Num[IDR]!=0){ in occupation_dual() 3047 if (F_Rcv_Num[IDR]!=0){ in make_v_eff() 3109 if (F_Rcv_Num[IDR]!=0){ in make_v_eff() [all …]
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H A D | Set_Density_Grid.c | 199 if (F_Rcv_Num[IDR]!=0){ in Set_Density_Grid() 261 if (F_Rcv_Num[IDR]!=0){ in Set_Density_Grid() 271 for (n=0; n<F_Rcv_Num[IDR]; n++){ in Set_Density_Grid()
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H A D | Voronoi_Orbital_Moment.c | 273 if (F_Rcv_Num[IDR]!=0){ in Voronoi_Orbital_Moment() 341 if (F_Rcv_Num[IDR]!=0){ in Voronoi_Orbital_Moment() 353 for (n=0; n<F_Rcv_Num[IDR]; n++){ in Voronoi_Orbital_Moment()
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H A D | Set_Nonlocal.c | 861 if ( 0<(F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]) ){ in Nonlocal0() 926 if ( 0<(F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]) ){ in Nonlocal0() 1082 if ( 0<(F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]) ) po += F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]; in Nonlocal0()
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H A D | Force.c | 377 if (F_Rcv_Num[IDR]!=0){ in Force() 449 if (F_Rcv_Num[IDR]!=0){ in Force() 461 for (n=0; n<F_Rcv_Num[IDR]; n++){ in Force() 547 if (F_Rcv_Num[IDR]!=0){ in Force() 619 if (F_Rcv_Num[IDR]!=0){ in Force() 631 for (n=0; n<F_Rcv_Num[IDR]; n++){ in Force() 3628 if ( 0<(F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]) ) po += F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]; in Force_HNL() 5106 if ( 0<(F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]) ) po += F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]; in Force4B() 8789 if (F_Rcv_Num[IDR]!=0){ in MPI_OLP() 8860 if (F_Rcv_Num[IDR]!=0){ in MPI_OLP() [all …]
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H A D | Stress.c | 361 if (F_Rcv_Num[IDR]!=0){ in Stress() 433 if (F_Rcv_Num[IDR]!=0){ in Stress() 445 for (n=0; n<F_Rcv_Num[IDR]; n++){ in Stress() 532 if (F_Rcv_Num[IDR]!=0){ in Stress() 604 if (F_Rcv_Num[IDR]!=0){ in Stress() 616 for (n=0; n<F_Rcv_Num[IDR]; n++){ in Stress() 3621 if ( 0<(F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]) ) po += F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]; in Stress4B() 5270 if ( 0<(F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]) ) po += F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]; in Stress_HNL() 8516 if (F_Rcv_Num[IDR]!=0){ in MPI_OLP() 8587 if (F_Rcv_Num[IDR]!=0){ in MPI_OLP() [all …]
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H A D | Opt_Contraction.c | 515 if (F_Rcv_Num[IDR]!=0){ in Atoms_Opt_Contraction_DIIS() 577 if (F_Rcv_Num[IDR]!=0){ in Atoms_Opt_Contraction_DIIS() 588 for (n=0; n<F_Rcv_Num[IDR]; n++){ in Atoms_Opt_Contraction_DIIS()
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H A D | Set_ProExpn_VNA.c | 960 if ( 0<(F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]) ){ in Set_ProExpn() 1027 if ( 0<(F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]) ){ in Set_ProExpn() 1191 if ( 0<(F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]) ) po += F_Rcv_Num[IDR]-F_Rcv_Num_WK[IDR]; in Set_ProExpn()
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H A D | Allocate_Arrays.c | 70 F_Rcv_Num = (int*)malloc(sizeof(int)*Num_Procs); in Allocate_Arrays()
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H A D | Krylov.c | 525 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in Krylov_Col() 611 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in Krylov_Col() 620 for (n=0; n<(F_Rcv_Num[IDR]+S_Rcv_Num[IDR]); n++){ in Krylov_Col() 708 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in Krylov_Col() 716 for (n=0; n<(F_Rcv_Num[IDR]+S_Rcv_Num[IDR]); n++){ in Krylov_Col() 5669 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in Krylov_Col_trd() 5755 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in Krylov_Col_trd() 5764 for (n=0; n<(F_Rcv_Num[IDR]+S_Rcv_Num[IDR]); n++){ in Krylov_Col_trd() 5852 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in Krylov_Col_trd() 5860 for (n=0; n<(F_Rcv_Num[IDR]+S_Rcv_Num[IDR]); n++){ in Krylov_Col_trd()
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H A D | openmx_common.h | 3322 int *F_Rcv_Num; variable
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H A D | NBO_Krylov.c | 401 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in Krylov_Col_NAO() 413 for (n=0; n<(F_Rcv_Num[IDR]+S_Rcv_Num[IDR]); n++){ in Krylov_Col_NAO() 1018 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in Krylov_Col_NAO() 1089 if ((F_Rcv_Num[IDR]+S_Rcv_Num[IDR])!=0){ in Krylov_Col_NAO() 1101 for (n=0; n<(F_Rcv_Num[IDR]+S_Rcv_Num[IDR]); n++){ in Krylov_Col_NAO()
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H A D | Free_Arrays.c | 2277 free(F_Rcv_Num); in array0()
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