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Searched refs:iso2_last (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_electric_field_gradient.F434 iso1_last, iso2, iso2_first, iso2_last, l, l_iso, llmax, m1s, m2s, m_iso, max_iso_not0, & local
498 iso2_last = nsoset(lmax(iset2)) + n2s*(ipgf2 - 1) + m2s
499 size2 = iso2_last - iso2_first + 1
501 iso2_last = o2nindex(iso2_last)
502 i2 = iso2_last - iso2_first + 1
531 coeff(iso1_first:iso1_last, iso2_first:iso2_last)
535 coeff(iso1_first:iso1_last, iso2_first:iso2_last)
H A Dqs_linres_atom_current.F810 iso2_last = nsoset(lmax(iset2)) + n2s*(ipgf2 - 1) + m2s
811 size2 = iso2_last - iso2_first + 1
813 iso2_last = o2nindex(iso2_last)
814 i2 = iso2_last - iso2_first + 1
865 coeff(iso1_first:iso1_last, iso2_first:iso2_last)
870 coeff(iso1_first:iso1_last, iso2_first:iso2_last)
879 coeff(iso1_first:iso1_last, iso2_first:iso2_last)
884 coeff(iso1_first:iso1_last, iso2_first:iso2_last)
893 coeff(iso1_first:iso1_last, iso2_first:iso2_last)
898 coeff(iso1_first:iso1_last, iso2_first:iso2_last)
[all …]
H A Dqs_rho_atom_methods.F117 iso2_first, iso2_last, isom1, isom2, istat, j, l, l1, l2, l_iso, l_sub, l_sum, lmax12, & local
219 iso2_last = nsoset(lmax(iset2)) + n2s*(ipgf2 - 1) + m2s
220 size2 = iso2_last - iso2_first + 1
222 iso2_last = o2nindex(iso2_last)
223 i2 = iso2_last - iso2_first + 1
306 …CH_sphere(i1:i1 + size1 - 1, i2:i2 + size2 - 1) = coeff(iso1_first:iso1_last, iso2_first:iso2_last)
309 …CS_sphere(i1:i1 + size1 - 1, i2:i2 + size2 - 1) = coeff(iso1_first:iso1_last, iso2_first:iso2_last)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_electric_field_gradient.F434 iso1_last, iso2, iso2_first, iso2_last, l, l_iso, llmax, m1s, m2s, m_iso, max_iso_not0, & local
498 iso2_last = nsoset(lmax(iset2)) + n2s*(ipgf2 - 1) + m2s
499 size2 = iso2_last - iso2_first + 1
501 iso2_last = o2nindex(iso2_last)
502 i2 = iso2_last - iso2_first + 1
531 coeff(iso1_first:iso1_last, iso2_first:iso2_last)
535 coeff(iso1_first:iso1_last, iso2_first:iso2_last)
H A Dqs_linres_atom_current.F810 iso2_last = nsoset(lmax(iset2)) + n2s*(ipgf2 - 1) + m2s
811 size2 = iso2_last - iso2_first + 1
813 iso2_last = o2nindex(iso2_last)
814 i2 = iso2_last - iso2_first + 1
865 coeff(iso1_first:iso1_last, iso2_first:iso2_last)
870 coeff(iso1_first:iso1_last, iso2_first:iso2_last)
879 coeff(iso1_first:iso1_last, iso2_first:iso2_last)
884 coeff(iso1_first:iso1_last, iso2_first:iso2_last)
893 coeff(iso1_first:iso1_last, iso2_first:iso2_last)
898 coeff(iso1_first:iso1_last, iso2_first:iso2_last)
[all …]
H A Dqs_rho_atom_methods.F120 iso2_first, iso2_last, isom1, isom2, istat, j, l, l1, l2, l_iso, l_sub, l_sum, lmax12, & local
221 iso2_last = nsoset(lmax(iset2)) + n2s*(ipgf2 - 1) + m2s
222 size2 = iso2_last - iso2_first + 1
224 iso2_last = o2nindex(iso2_last)
225 i2 = iso2_last - iso2_first + 1
308 …CH_sphere(i1:i1 + size1 - 1, i2:i2 + size2 - 1) = coeff(iso1_first:iso1_last, iso2_first:iso2_last)
311 …CS_sphere(i1:i1 + size1 - 1, i2:i2 + size2 - 1) = coeff(iso1_first:iso1_last, iso2_first:iso2_last)