Searched refs:mpole_gau (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_rho0_methods.F | 199 TYPE(mpole_gau_overlap), POINTER :: mpole_gau local
206 NULLIFY (mpole_gau)
212 l0_ikind=lmax0, mp_gau_ikind=mpole_gau, &
241 nsotot = SIZE(mpole_gau%Qlm_gg, 1)
255 mpole_rho%Q0(ispin) = (trace_r_AxB(mpole_gau%Qlm_gg(:, :, 1), nsotot, &
257 - trace_r_AxB(mpole_gau%Qlm_gg(:, :, 1), nsotot, &
270 trace_r_AxB(mpole_gau%Qlm_gg(:, :, iso), nsotot, &
273 trace_r_AxB(mpole_gau%Qlm_gg(:, :, iso), nsotot, &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_rho0_methods.F | 206 TYPE(mpole_gau_overlap), POINTER :: mpole_gau local
213 NULLIFY (mpole_gau)
219 l0_ikind=lmax0, mp_gau_ikind=mpole_gau, &
246 nsotot = SIZE(mpole_gau%Qlm_gg, 1)
260 mpole_rho%Q0(ispin) = (trace_r_AxB(mpole_gau%Qlm_gg(:, :, 1), nsotot, &
262 - trace_r_AxB(mpole_gau%Qlm_gg(:, :, 1), nsotot, &
275 trace_r_AxB(mpole_gau%Qlm_gg(:, :, iso), nsotot, &
278 trace_r_AxB(mpole_gau%Qlm_gg(:, :, iso), nsotot, &
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