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Searched defs:sphi_b (Results 1 – 25 of 56) sorted by relevance

123

/dports/science/cp2k-data/cp2k-7.1.0/src/hfxbase/
H A Dhfx_contraction_methods.F66 sphi_a, sphi_b, sphi_c, sphi_d, & argument
74 REAL(dp), DIMENSION(ncob, nsob*nl_b), INTENT(IN) :: sphi_b local
12626 sphi_a, sphi_b, sphi_c, sphi_d, & argument
12715 sphi_a, sphi_b, sphi_c, sphi_d, & argument
12809 sphi_a, sphi_b, sphi_c, sphi_d, & argument
12915 sphi_a, sphi_b, sphi_c, sphi_d, & argument
13044 sphi_a, sphi_b, sphi_c, sphi_d, & argument
13209 sphi_a, sphi_b, sphi_c, sphi_d, & argument
13295 sphi_a, sphi_b, sphi_c, sphi_d, & argument
13387 sphi_a, sphi_b, sphi_c, sphi_d, & argument
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/hfxbase/
H A Dhfx_contraction_methods.F66 sphi_a, sphi_b, sphi_c, sphi_d, & argument
74 REAL(dp), DIMENSION(ncob, nsob*nl_b), INTENT(IN) :: sphi_b local
12626 sphi_a, sphi_b, sphi_c, sphi_d, & argument
12715 sphi_a, sphi_b, sphi_c, sphi_d, & argument
12809 sphi_a, sphi_b, sphi_c, sphi_d, & argument
12915 sphi_a, sphi_b, sphi_c, sphi_d, & argument
13044 sphi_a, sphi_b, sphi_c, sphi_d, & argument
13209 sphi_a, sphi_b, sphi_c, sphi_d, & argument
13295 sphi_a, sphi_b, sphi_c, sphi_d, & argument
13387 sphi_a, sphi_b, sphi_c, sphi_d, & argument
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/
H A Dai_contraction_sphi.F48 SUBROUTINE ab_contract(abint, sab, sphi_a, sphi_b, ncoa, ncob, nsgfa, nsgfb) argument
51 REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: sab, sphi_a, sphi_b local
96 SUBROUTINE abc_contract(abcint, sabc, sphi_a, sphi_b, sphi_c, ncoa, ncob, ncoc, & argument
100 REAL(KIND=dp), DIMENSION(:, :) :: sphi_a, sphi_b, sphi_c local
156 SUBROUTINE abcd_contract(abcdint, sabcd, sphi_a, sphi_b, sphi_c, sphi_d, ncoa, ncob, & argument
162 REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: sphi_a, sphi_b, sphi_c, sphi_d local
242 SUBROUTINE libxsmm_abc_contract(abcint, sabc, tsphi_a, sphi_b, sphi_c, ncoa, ncob, ncoc, & argument
246 REAL(dp), DIMENSION(:, :) :: tsphi_a, sphi_b, sphi_c local
/dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/
H A Dai_contraction_sphi.F39 SUBROUTINE ab_contract(abint, sab, sphi_a, sphi_b, ncoa, ncob, nsgfa, nsgfb) argument
42 REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: sab, sphi_a, sphi_b local
87 SUBROUTINE abc_contract(abcint, sabc, sphi_a, sphi_b, sphi_c, ncoa, ncob, ncoc, & argument
91 REAL(KIND=dp), DIMENSION(:, :) :: sphi_a, sphi_b, sphi_c local
147 SUBROUTINE abcd_contract(abcdint, sabcd, sphi_a, sphi_b, sphi_c, sphi_d, ncoa, ncob, & argument
153 REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: sphi_a, sphi_b, sphi_c, sphi_d local
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_efield_berry.F210 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
695 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
1185 ncob, nsgfb, sgfb, sphi_b, ldsb, & argument
1192 REAL(dp), DIMENSION(:, :), INTENT(IN) :: sphi_b local
H A Dhfx_libint_interface.F385 sphi_a, sphi_b, sphi_c, sphi_d, & argument
405 REAL(dp), DIMENSION(ncob, nsob*nl_b) :: sphi_b local
1460 sphi_a, sphi_b, sphi_c, sphi_d, work, work2, buffer1, buffer2, & argument
1476 REAL(dp), DIMENSION(ncob, nsob*nl_b), INTENT(IN) :: sphi_b local
H A Dqs_fermi_contact.F92 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
H A Dqs_spin_orbit.F92 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
H A Dqs_elec_field.F93 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
H A Dmp2_eri.F151 REAL(KIND=dp), DIMENSION(:, :), POINTER :: sphi_a, sphi_b, zeta, zetb local
364 … offset_set_a, offset_set_b, sphi_a, sphi_b, sgfa, sgfb, nsgfa, nsgfb, & argument
381 REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: sphi_b local
665 sphi_b, sphi_c, zeta, zetb, zetc local
1071 sphi_a, sphi_b, sphi_c, & argument
1093 REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: sphi_a, sphi_b, sphi_c local
H A Dqs_operators_ao.F89 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
444 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
817 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, work, & local
1087 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, work, & local
1350 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, work, & local
H A Dhfx_screening_methods.F328 REAL(dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
680 REAL(dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
H A Dqs_moments.F140 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
368 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
655 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
874 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
1045 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
H A Dec_efield_local.F169 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
H A Dqs_efield_local.F172 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_efield_berry.F210 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
695 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
1185 ncob, nsgfb, sgfb, sphi_b, ldsb, & argument
1192 REAL(dp), DIMENSION(:, :), INTENT(IN) :: sphi_b local
H A Dhfx_libint_interface.F385 sphi_a, sphi_b, sphi_c, sphi_d, & argument
405 REAL(dp), DIMENSION(ncob, nsob*nl_b) :: sphi_b local
1460 sphi_a, sphi_b, sphi_c, sphi_d, work, work2, buffer1, buffer2, & argument
1476 REAL(dp), DIMENSION(ncob, nsob*nl_b), INTENT(IN) :: sphi_b local
H A Dqs_elec_field.F93 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
H A Dqs_fermi_contact.F92 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
H A Dqs_spin_orbit.F92 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
H A Dmp2_eri.F151 REAL(KIND=dp), DIMENSION(:, :), POINTER :: sphi_a, sphi_b, zeta, zetb local
365 … offset_set_a, offset_set_b, sphi_a, sphi_b, sgfa, sgfb, nsgfa, nsgfb, & argument
382 REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: sphi_b local
666 sphi_b, sphi_c, zeta, zetb, zetc local
1072 sphi_a, sphi_b, sphi_c, & argument
1094 REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: sphi_a, sphi_b, sphi_c local
H A Dqs_operators_ao.F89 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
444 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
817 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, work, & local
1087 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, work, & local
1350 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, work, & local
H A Dhfx_screening_methods.F328 REAL(dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
680 REAL(dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
H A Dqs_moments.F134 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
359 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
579 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
748 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
H A Dqs_efield_local.F172 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local

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