/dports/science/cp2k-data/cp2k-7.1.0/src/hfxbase/ |
H A D | hfx_contraction_methods.F | 66 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 …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/hfxbase/ |
H A D | hfx_contraction_methods.F | 66 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 …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/ |
H A D | ai_contraction_sphi.F | 48 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
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/dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/ |
H A D | ai_contraction_sphi.F | 39 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
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_efield_berry.F | 210 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
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H A D | hfx_libint_interface.F | 385 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
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H A D | qs_fermi_contact.F | 92 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
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H A D | qs_spin_orbit.F | 92 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
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H A D | qs_elec_field.F | 93 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
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H A D | mp2_eri.F | 151 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
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H A D | qs_operators_ao.F | 89 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
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H A D | hfx_screening_methods.F | 328 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
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H A D | qs_moments.F | 140 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
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H A D | ec_efield_local.F | 169 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
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H A D | qs_efield_local.F | 172 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_efield_berry.F | 210 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
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H A D | hfx_libint_interface.F | 385 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
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H A D | qs_elec_field.F | 93 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
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H A D | qs_fermi_contact.F | 92 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
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H A D | qs_spin_orbit.F | 92 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
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H A D | mp2_eri.F | 151 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
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H A D | qs_operators_ao.F | 89 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
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H A D | hfx_screening_methods.F | 328 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
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H A D | qs_moments.F | 134 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
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H A D | qs_efield_local.F | 172 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, sphi_a, sphi_b, zeta, zetb local
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