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Searched refs:g_hartree (Results 1 – 2 of 2) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dcp_ddapc_util.F563 NULLIFY (g_hartree)
573 g_hartree => v_hartree_gspace%pw
574 Vol = g_hartree%pw_grid%vol
581 IF (g_hartree%pw_grid%have_g0) g_hartree%cc(1) = g_hartree%cc(1) + sfac*fac2/fac
582 DO ig = g_hartree%pw_grid%first_gne0, g_hartree%pw_grid%ngpts_cut_local
602 g_hartree%cc(ig) = g_hartree%cc(ig) + sfac*g_corr/Vol
639 NULLIFY (g_hartree)
643 Vol = g_hartree%pw_grid%vol
653 IF (g_hartree%pw_grid%have_g0) g_hartree%cc(1) = g_hartree%cc(1) + sfac*fac2/fac
654 DO ig = g_hartree%pw_grid%first_gne0, g_hartree%pw_grid%ngpts_cut_local
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dcp_ddapc_util.F563 NULLIFY (g_hartree)
573 g_hartree => v_hartree_gspace%pw
574 Vol = g_hartree%pw_grid%vol
581 IF (g_hartree%pw_grid%have_g0) g_hartree%cc(1) = g_hartree%cc(1) + sfac*fac2/fac
582 DO ig = g_hartree%pw_grid%first_gne0, g_hartree%pw_grid%ngpts_cut_local
602 g_hartree%cc(ig) = g_hartree%cc(ig) + sfac*g_corr/Vol
639 NULLIFY (g_hartree)
643 Vol = g_hartree%pw_grid%vol
653 IF (g_hartree%pw_grid%have_g0) g_hartree%cc(1) = g_hartree%cc(1) + sfac*fac2/fac
654 DO ig = g_hartree%pw_grid%first_gne0, g_hartree%pw_grid%ngpts_cut_local
[all …]