Searched refs:list_kl (Results 1 – 10 of 10) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | hfx_load_balance_methods.F | 195 TYPE(pair_list_type) :: list_ij, list_kl local 235 list_ij, list_kl, set_list_ij, set_list_kl, & 915 TYPE(pair_list_type), INTENT(IN) :: list_ij, list_kl local 2039 DO i_list_kl = 1, list_kl%n_element 2041 katom = list_kl%elements(i_list_kl)%pair(1) 2042 latom = list_kl%elements(i_list_kl)%pair(2) 2054 i_set_list_kl_stop = list_kl%elements(i_list_kl)%set_bounds(2) 2055 kkind = list_kl%elements(i_list_kl)%kind_pair(1) 2056 lkind = list_kl%elements(i_list_kl)%kind_pair(2) 2057 rcd2 = list_kl%elements(i_list_kl)%dist2 [all …]
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H A D | hfx_derivatives.F | 986 DO i_list_kl = 1, list_kl%n_element 987 katom = list_kl%elements(i_list_kl)%pair(1) 999 rc = list_kl%elements(i_list_kl)%r1 1000 rd = list_kl%elements(i_list_kl)%r2 1001 rcd2 = list_kl%elements(i_list_kl)%dist2 1909 DO list_kl = 1, nelements_kl 1910 Zeta_C = pgf_list_kl(list_kl)%zeta 1911 Zeta_D = pgf_list_kl(list_kl)%zetb 1912 EtaInv = pgf_list_kl(list_kl)%ZetaInv 1913 kpgf = pgf_list_kl(list_kl)%ipgf [all …]
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H A D | mp2_direct_method.F | 179 TYPE(pair_list_type_mp2) :: list_ij, list_kl local 211 ALLOCATE (list_kl%elements(natom**2)) 422 DO i_list_kl = 1, list_kl%n_element 424 katom = list_kl%elements(i_list_kl)%pair(1) 425 latom = list_kl%elements(i_list_kl)%pair(2) 428 i_set_list_kl_stop = list_kl%elements(i_list_kl)%set_bounds(2) 429 kkind = list_kl%elements(i_list_kl)%kind_pair(1) 430 lkind = list_kl%elements(i_list_kl)%kind_pair(2) 431 rc = list_kl%elements(i_list_kl)%r1 432 rd = list_kl%elements(i_list_kl)%r2 [all …]
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H A D | mp2_ri_libint.F | 487 TYPE(pair_list_type_mp2) :: list_kl local 712 ALLOCATE (list_kl%elements(natom**2)) 792 DO i_list_kl = 1, list_kl%n_element 794 katom = list_kl%elements(i_list_kl)%pair(1) 795 latom = list_kl%elements(i_list_kl)%pair(2) 797 i_set_list_kl_start = list_kl%elements(i_list_kl)%set_bounds(1) 798 i_set_list_kl_stop = list_kl%elements(i_list_kl)%set_bounds(2) 799 kkind = list_kl%elements(i_list_kl)%kind_pair(1) 800 lkind = list_kl%elements(i_list_kl)%kind_pair(2) 801 rc = list_kl%elements(i_list_kl)%r1 [all …]
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H A D | hfx_energy_potential.F | 1213 DO i_list_kl = 1, list_kl%n_element 1214 katom = list_kl%elements(i_list_kl)%pair(1) 1215 latom = list_kl%elements(i_list_kl)%pair(2) 1221 kkind = list_kl%elements(i_list_kl)%kind_pair(1) 1223 rc = list_kl%elements(i_list_kl)%r1 1224 rd = list_kl%elements(i_list_kl)%r2 1225 rcd2 = list_kl%elements(i_list_kl)%dist2 2325 DO list_kl = 1, nelements_kl 2326 EtaInv = pgf_list_kl(list_kl)%ZetaInv 2327 kpgf = pgf_list_kl(list_kl)%ipgf [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | hfx_load_balance_methods.F | 192 TYPE(pair_list_type) :: list_ij, list_kl local 232 list_ij, list_kl, set_list_ij, set_list_kl, & 912 TYPE(pair_list_type), INTENT(IN) :: list_ij, list_kl local 2029 DO i_list_kl = 1, list_kl%n_element 2031 katom = list_kl%elements(i_list_kl)%pair(1) 2032 latom = list_kl%elements(i_list_kl)%pair(2) 2044 i_set_list_kl_stop = list_kl%elements(i_list_kl)%set_bounds(2) 2045 kkind = list_kl%elements(i_list_kl)%kind_pair(1) 2046 lkind = list_kl%elements(i_list_kl)%kind_pair(2) 2047 rcd2 = list_kl%elements(i_list_kl)%dist2 [all …]
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H A D | hfx_derivatives.F | 992 DO i_list_kl = 1, list_kl%n_element 993 katom = list_kl%elements(i_list_kl)%pair(1) 1005 rc = list_kl%elements(i_list_kl)%r1 1006 rd = list_kl%elements(i_list_kl)%r2 1007 rcd2 = list_kl%elements(i_list_kl)%dist2 1923 DO list_kl = 1, nelements_kl 1924 Zeta_C = pgf_list_kl(list_kl)%zeta 1925 Zeta_D = pgf_list_kl(list_kl)%zetb 1926 EtaInv = pgf_list_kl(list_kl)%ZetaInv 1927 kpgf = pgf_list_kl(list_kl)%ipgf [all …]
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H A D | mp2_direct_method.F | 179 TYPE(pair_list_type_mp2) :: list_ij, list_kl local 211 ALLOCATE (list_kl%elements(natom**2)) 422 DO i_list_kl = 1, list_kl%n_element 424 katom = list_kl%elements(i_list_kl)%pair(1) 425 latom = list_kl%elements(i_list_kl)%pair(2) 428 i_set_list_kl_stop = list_kl%elements(i_list_kl)%set_bounds(2) 429 kkind = list_kl%elements(i_list_kl)%kind_pair(1) 430 lkind = list_kl%elements(i_list_kl)%kind_pair(2) 431 rc = list_kl%elements(i_list_kl)%r1 432 rd = list_kl%elements(i_list_kl)%r2 [all …]
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H A D | mp2_ri_libint.F | 487 TYPE(pair_list_type_mp2) :: list_kl local 712 ALLOCATE (list_kl%elements(natom**2)) 792 DO i_list_kl = 1, list_kl%n_element 794 katom = list_kl%elements(i_list_kl)%pair(1) 795 latom = list_kl%elements(i_list_kl)%pair(2) 797 i_set_list_kl_start = list_kl%elements(i_list_kl)%set_bounds(1) 798 i_set_list_kl_stop = list_kl%elements(i_list_kl)%set_bounds(2) 799 kkind = list_kl%elements(i_list_kl)%kind_pair(1) 800 lkind = list_kl%elements(i_list_kl)%kind_pair(2) 801 rc = list_kl%elements(i_list_kl)%r1 [all …]
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H A D | hfx_energy_potential.F | 1213 DO i_list_kl = 1, list_kl%n_element 1214 katom = list_kl%elements(i_list_kl)%pair(1) 1215 latom = list_kl%elements(i_list_kl)%pair(2) 1221 kkind = list_kl%elements(i_list_kl)%kind_pair(1) 1223 rc = list_kl%elements(i_list_kl)%r1 1224 rd = list_kl%elements(i_list_kl)%r2 1225 rcd2 = list_kl%elements(i_list_kl)%dist2 2325 DO list_kl = 1, nelements_kl 2326 EtaInv = pgf_list_kl(list_kl)%ZetaInv 2327 kpgf = pgf_list_kl(list_kl)%ipgf [all …]
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