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Searched refs:ga_gb_function (Results 1 – 15 of 15) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_collocate_density.F1542 ga_gb_function = GRID_FUNC_AB
1544 ga_gb_function = GRID_FUNC_DX
1546 ga_gb_function = GRID_FUNC_DY
1548 ga_gb_function = GRID_FUNC_DZ
1550 ga_gb_function = GRID_FUNC_DXDY
1552 ga_gb_function = GRID_FUNC_DYDZ
1554 ga_gb_function = GRID_FUNC_DZDX
1565 ga_gb_function = GRID_FUNC_DADB
1579 ga_gb_function = GRID_FUNC_AB
1825 ga_gb_function=ga_gb_function, &
[all …]
H A Dqs_cdft_methods.F1296 ga_gb_function=GRID_FUNC_AB, use_subpatch=.TRUE., &
1309 ga_gb_function=GRID_FUNC_AB, use_subpatch=.TRUE., &
1321 … ga_gb_function=GRID_FUNC_AB, use_subpatch=.TRUE., &
H A Dqs_linres_current.F1141 radius=radius, ga_gb_function=adbmdab_func)
1150 radius=radius, ga_gb_function=GRID_FUNC_AB)
1162 ga_gb_function=adbmdab_func, &
1181 ga_gb_function=adbmdab_func, &
1199 ga_gb_function=encode_ardbmdarb_func(idir=idir, ir=iiiB))
1209 ga_gb_function=encode_ardbmdarb_func(idir=idir, ir=iiB))
H A Dhirshfeld_methods.F492 … cell, cube_info, radius=radius, ga_gb_function=GRID_FUNC_AB, &
H A Dqs_rho0_ggrid.F226 rs_grid, cell, cube_info(igrid), ga_gb_function=GRID_FUNC_AB, radius=rpgf0, &
H A Dqs_cdft_utils.F388 radius=radius, ga_gb_function=GRID_FUNC_AB, &
H A Dmixed_cdft_methods.F2609 radius=radius, ga_gb_function=GRID_FUNC_AB, &
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/grid/
H A Dgrid_collocate.F91 ga_gb_function, radius, & argument
106 INTEGER, INTENT(IN) :: ga_gb_function local
120 SELECT CASE (ga_gb_function)
152 idir = MODULO(ga_gb_function, 10)
184 idir = MODULO(ga_gb_function, 10)
216 ider1 = MODULO(ga_gb_function, 10)
248 ider1 = MODULO(ga_gb_function, 10)
278 ider1 = MODULO(ga_gb_function, 10)
309 ir = MODULO(ga_gb_function, 10)
310 idir = MODULO(ga_gb_function - ir, 100)/10
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_collocate_density.F1511 ga_gb_function = FUNC_DADB
1515 ga_gb_function = FUNC_AB
1588 SELECT CASE (ga_gb_function)
1847 ga_gb_function=ga_gb_function, &
1860 ga_gb_function=ga_gb_function, &
1874 ga_gb_function=ga_gb_function, &
1886 ga_gb_function=ga_gb_function, &
2772 SELECT CASE (ga_gb_function)
2868 ider1 = ga_gb_function - 500
2900 ider1 = ga_gb_function - 600
[all …]
H A Dqs_cdft_methods.F1287 … ga_gb_function=FUNC_AB, ithread=ithread, use_subpatch=.TRUE., &
1293 … ga_gb_function=FUNC_AB, ithread=ithread, use_subpatch=.TRUE., &
1300 … ga_gb_function=FUNC_AB, ithread=ithread, use_subpatch=.TRUE., &
H A Dqs_linres_current.F1132 ga_gb_function=FUNC_ADBmDAB, &
1144 ga_gb_function=FUNC_AB, &
1156 ga_gb_function=FUNC_ADBmDAB, &
1170 ga_gb_function=FUNC_ADBmDAB, &
1185 ga_gb_function=FUNC_ARDBmDARB, &
1197 ga_gb_function=FUNC_ARDBmDARB, &
H A Dhirshfeld_methods.F486 … cell, cube_info, eps_rho_rspace, ga_gb_function=FUNC_AB, &
H A Dqs_rho0_ggrid.F232 rs_grid, cell, cube_info(igrid), eps_rho_rspace, ga_gb_function=401, &
H A Dqs_cdft_utils.F382 ga_gb_function=FUNC_AB, ithread=ithread, &
H A Dmixed_cdft_methods.F2602 … mixed_cdft%eps_rho_rspace, ga_gb_function=FUNC_AB, &