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

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dewalds.F315 REAL(KIND=dp) :: alpha, mm_radius, q, q_neutg, q_self, & local
322 q_neutg = 0.0_dp
351 q_neutg = q_neutg + 2.0_dp*qshell*mm_radius**2
357 q_neutg = q_neutg + 2.0_dp*q*mm_radius**2
370 e_neut = -q_sum*pi/(2.0_dp*cell%deth)*(q_sum/alpha**2 - q_neutg)
H A Dewalds_multipole.F1117 q, q_neutg, q_self, q_sum, qu_qu_self, & local
1137 q_neutg = 0.0_dp
1147 q_neutg = q_neutg+2.0_dp*q*radius**2
1206 CALL mp_sum(q_neutg, group)
1215 e_neut = -q_sum*fac1*(q_sum/alpha**2-q_neutg)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dewalds.F315 REAL(KIND=dp) :: alpha, mm_radius, q, q_neutg, q_self, & local
322 q_neutg = 0.0_dp
351 q_neutg = q_neutg + 2.0_dp*qshell*mm_radius**2
357 q_neutg = q_neutg + 2.0_dp*q*mm_radius**2
370 e_neut = -q_sum*pi/(2.0_dp*cell%deth)*(q_sum/alpha**2 - q_neutg)
H A Dewalds_multipole.F1114 q, q_neutg, q_self, q_sum, qu_qu_self, & local
1134 q_neutg = 0.0_dp
1144 q_neutg = q_neutg + 2.0_dp*q*radius**2
1203 CALL mp_sum(q_neutg, group)
1212 e_neut = -q_sum*fac1*(q_sum/alpha**2 - q_neutg)