Searched refs:qu_qu_self (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | ewalds_multipole.F | 1114 q, q_neutg, q_self, q_sum, qu_qu_self, & local
1127 qu_qu_self = 0.0_dp
1184 qu_qu_self = qu_qu_self + quadrupoles(j, i, iparticle)**2
1208 CALL mp_sum(qu_qu_self, group)
1210 …e_self = -(q_self + f23*(dipole_self - f23*ch_qu_self + f415*qu_qu_self*alpha**2)*alpha**2)*alpha*…
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | ewalds_multipole.F | 1117 q, q_neutg, q_self, q_sum, qu_qu_self, & local
1130 qu_qu_self = 0.0_dp
1187 qu_qu_self = qu_qu_self+quadrupoles(j, i, iparticle)**2
1211 CALL mp_sum(qu_qu_self, group)
1213 …e_self = -(q_self+f23*(dipole_self-f23*ch_qu_self+f415*qu_qu_self*alpha**2)*alpha**2)*alpha*ooroot…
|