Searched refs:tot_ene (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | ewalds_multipole.F | 1970 tot_ene = 0.0_dp
1992 tot_ene = tot_ene + 0.5_dp*efield0(i)*charges(i)
1994 WRITE (iw, *) "ENERGIES: ", o_tot_ene, tot_ene, o_tot_ene - tot_ene
2032 tot_ene = tot_ene - 0.5_dp*DOT_PRODUCT(efield1(:, i), dipoles(:, i))
2035 WRITE (iw, *) "ENERGIES: ", o_tot_ene, tot_ene, o_tot_ene - tot_ene
2153 tot_ene = 0.0_dp
2156 tot_ene = tot_ene + 0.5_dp*efield0(i)*charges(i)
2158 WRITE (iw, *) "ENERGIES: ", o_tot_ene, tot_ene, o_tot_ene - tot_ene
2167 WRITE (iw, *) "ENERGIES: ", o_tot_ene, tot_ene, o_tot_ene - tot_ene
2182 tot_ene = tot_ene - 0.5_dp*(1.0_dp/3.0_dp)*prod
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | ewalds_multipole.F | 1933 tot_ene local
1974 tot_ene = 0.0_dp
1996 tot_ene = tot_ene+0.5_dp*efield0(i)*charges(i)
1998 WRITE (iw, *) "ENERGIES: ", o_tot_ene, tot_ene, o_tot_ene-tot_ene
2039 WRITE (iw, *) "ENERGIES: ", o_tot_ene, tot_ene, o_tot_ene-tot_ene
2157 tot_ene = 0.0_dp
2160 tot_ene = tot_ene+0.5_dp*efield0(i)*charges(i)
2162 WRITE (iw, *) "ENERGIES: ", o_tot_ene, tot_ene, o_tot_ene-tot_ene
2171 WRITE (iw, *) "ENERGIES: ", o_tot_ene, tot_ene, o_tot_ene-tot_ene
2186 tot_ene = tot_ene-0.5_dp*(1.0_dp/3.0_dp)*prod
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