Searched refs:grid_spme (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | spme.F | 142 grid_spme => pw_pool%pw_grid
146 CALL get_pw_grid_info(grid_spme, npts=npts, dvol=dvols)
151 CALL rs_grid_set_box(grid_spme, rs=rden)
242 CALL rs_grid_set_box(grid_spme, rs=rpot)
297 DO ig = grid_spme%first_gne0, grid_spme%ngpts_cut_local
301 IF (grid_spme%have_g0) phi_g%cc(1) = 0.0_dp
351 CALL rs_grid_set_box(grid_spme, rs=drpot(i)%rs_grid)
497 grid_spme => pw_pool%pw_grid
507 CALL rs_grid_set_box(grid_spme, rs=rden)
635 grid_spme => pw_pool%pw_grid
[all …]
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| H A D | ewald_methods_tb.F | 109 TYPE(pw_grid_type), POINTER :: grid_spme local
127 grid_spme => pw_pool%pw_grid
129 CALL get_pw_grid_info(grid_spme, dvol=dvols, npts=npts)
137 CALL rs_grid_set_box(grid_spme, rs=rden)
187 CALL rs_grid_set_box(grid_spme, rs=rpot)
215 DO ig = grid_spme%first_gne0, grid_spme%ngpts_cut_local
216 phib_g%cc(ig) = ffb*dphi_g(i)%pw%cc(ig)*(1.0_dp + ffa*grid_spme%gsq(ig))
219 IF (grid_spme%have_g0) phib_g%cc(1) = 0.0_dp
280 CALL rs_grid_set_box(grid_spme, rs=drpot(i)%rs_grid)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | spme.F | 142 grid_spme => pw_pool%pw_grid
146 CALL get_pw_grid_info(grid_spme, npts=npts, dvol=dvols)
151 CALL rs_grid_set_box(grid_spme, rs=rden)
242 CALL rs_grid_set_box(grid_spme, rs=rpot)
297 DO ig = grid_spme%first_gne0, grid_spme%ngpts_cut_local
301 IF (grid_spme%have_g0) phi_g%cc(1) = 0.0_dp
351 CALL rs_grid_set_box(grid_spme, rs=drpot(i)%rs_grid)
497 grid_spme => pw_pool%pw_grid
507 CALL rs_grid_set_box(grid_spme, rs=rden)
635 grid_spme => pw_pool%pw_grid
[all …]
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| H A D | ewald_methods_tb.F | 109 TYPE(pw_grid_type), POINTER :: grid_spme local
127 grid_spme => pw_pool%pw_grid
129 CALL get_pw_grid_info(grid_spme, dvol=dvols, npts=npts)
137 CALL rs_grid_set_box(grid_spme, rs=rden)
187 CALL rs_grid_set_box(grid_spme, rs=rpot)
215 DO ig = grid_spme%first_gne0, grid_spme%ngpts_cut_local
216 phib_g%cc(ig) = ffb*dphi_g(i)%pw%cc(ig)*(1.0_dp + ffa*grid_spme%gsq(ig))
219 IF (grid_spme%have_g0) phib_g%cc(1) = 0.0_dp
280 CALL rs_grid_set_box(grid_spme, rs=drpot(i)%rs_grid)
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