Searched refs:iso2_last (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_electric_field_gradient.F | 434 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)
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H A D | qs_linres_atom_current.F | 810 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 …]
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H A D | qs_rho_atom_methods.F | 117 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)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_electric_field_gradient.F | 434 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)
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H A D | qs_linres_atom_current.F | 810 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 …]
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H A D | qs_rho_atom_methods.F | 120 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)
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