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Searched refs:dipole_self (Results 1 – 4 of 4) sorted by relevance

/dports/science/lammps/lammps-stable_29Sep2021/src/MANYBODY/
H A Dpair_comb3.h217 double dipole_self(Param *, int);
H A Dpair_comb3.cpp905 yaself += dipole_self(&params[iparam_i],i); in compute()
3570 double PairComb3::dipole_self(Param *parami, int i) in dipole_self() function in PairComb3
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dewalds_multipole.F1113 dipole_self, fac1, fac2, fac3, fac4, & local
1125 dipole_self = 0.0_dp
1171 dipole_self = dipole_self + dipoles(i, iparticle)**2
1206 CALL mp_sum(dipole_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 Dewalds_multipole.F1116 dipole_self, fac1, fac2, fac3, fac4, & local
1128 dipole_self = 0.0_dp
1174 dipole_self = dipole_self+dipoles(i, iparticle)**2
1209 CALL mp_sum(dipole_self, group)
1213 …e_self = -(q_self+f23*(dipole_self-f23*ch_qu_self+f415*qu_qu_self*alpha**2)*alpha**2)*alpha*ooroot…