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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_rho0_methods.F207 NULLIFY (mpole_rho)
234 mpole_rho => rho0_mp%mp_rho(iatom)
265 mpole_rho%Qlm_h(iso) = 0.0_dp
266 mpole_rho%Qlm_s(iso) = 0.0_dp
269 mpole_rho%Qlm_h(iso) = mpole_rho%Qlm_h(iso) + &
272 mpole_rho%Qlm_s(iso) = mpole_rho%Qlm_s(iso) + &
277 mpole_rho%Qlm_tot(iso) = mpole_rho%Qlm_tot(iso) + &
278 mpole_rho%Qlm_h(iso) - mpole_rho%Qlm_s(iso)
303 mpole_rho => rho0_mp%mp_rho(iatom)
315 mpole_rho => rho0_mp%mp_rho(iatom)
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_rho0_methods.F214 NULLIFY (mpole_rho)
239 mpole_rho => rho0_mp%mp_rho(iatom)
270 mpole_rho%Qlm_h(iso) = 0.0_dp
271 mpole_rho%Qlm_s(iso) = 0.0_dp
274 mpole_rho%Qlm_h(iso) = mpole_rho%Qlm_h(iso) + &
277 mpole_rho%Qlm_s(iso) = mpole_rho%Qlm_s(iso) + &
282 mpole_rho%Qlm_tot(iso) = mpole_rho%Qlm_tot(iso) + &
283 mpole_rho%Qlm_h(iso) - mpole_rho%Qlm_s(iso)
308 mpole_rho => rho0_mp%mp_rho(iatom)
320 mpole_rho => rho0_mp%mp_rho(iatom)
[all …]