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Searched defs:sic_explicit_orbitals (Results 1 – 23 of 23) sorted by relevance

/dports/lang/gcc12-devel/gcc-12-20211205/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/lang/gcc8/gcc-8.5.0/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/lang/gcc10/gcc-10.3.0/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/devel/riscv64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/lang/gcc11-devel/gcc-11-20211009/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/devel/arm-none-eabi-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/devel/riscv64-gcc/gcc-8.3.0/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/lang/gcc9-devel/gcc-9-20211007/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/devel/riscv32-unknown-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/devel/aarch64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/lang/gcc48/gcc-4.8.5/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/lang/gcc9-aux/gcc-9.1.0/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/devel/arm-none-eabi-gcc492/gcc-4.9.2/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/lang/gcc6-aux/gcc-6-20180516/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/lang/gnat_util/gcc-6-20180516/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/devel/avr-gcc/gcc-10.2.0/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/lang/gcc11/gcc-11.2.0/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/lang/gcc10-devel/gcc-10-20211008/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/lang/gcc9/gcc-9.4.0/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/misc/cxx_atomics_pic/gcc-11.2.0/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/devel/mingw32-gcc/gcc-4.8.1/gcc/testsuite/gfortran.dg/graphite/
H A Dpr42050.f909 SUBROUTINE sic_explicit_orbitals( ) subroutine
24 END SUBROUTINE sic_explicit_orbitals argument
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_ks_utils.F399 CHARACTER(*), PARAMETER :: routineN = 'sic_explicit_orbitals', & argument
402 INTEGER :: handle, i, Iorb, k_alpha, k_beta, Norb
405 REAL(KIND=dp) :: ener, exc, total_rho
410 TYPE(cp_fm_type), POINTER :: matrix_hv, matrix_v, mo_coeff
411 TYPE(dbcsr_p_type) :: orb_density_matrix_p, orb_h_p
412 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: mo_derivs, rho_ao, tmp_dbcsr
413 TYPE(dbcsr_type), POINTER :: orb_density_matrix, orb_h
416 TYPE(pw_p_type) :: orb_rho_g, orb_rho_r, tmp_g, tmp_r, &
417 work_v_gspace, work_v_rspace
418 TYPE(pw_p_type), DIMENSION(:), POINTER :: rho_g, rho_r, tau, vxc, vxc_tau
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_ks_utils.F401 CHARACTER(*), PARAMETER :: routineN = 'sic_explicit_orbitals', & argument
404 INTEGER :: handle, i, Iorb, k_alpha, k_beta, Norb
407 REAL(KIND=dp) :: ener, exc, total_rho
412 TYPE(cp_fm_type), POINTER :: matrix_hv, matrix_v, mo_coeff
413 TYPE(dbcsr_p_type) :: orb_density_matrix_p, orb_h_p
414 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: mo_derivs, rho_ao, tmp_dbcsr
415 TYPE(dbcsr_type), POINTER :: orb_density_matrix, orb_h
418 TYPE(pw_p_type) :: orb_rho_g, orb_rho_r, tmp_g, tmp_r, &
419 work_v_gspace, work_v_rspace
420 TYPE(pw_p_type), DIMENSION(:), POINTER :: rho_g, rho_r, tau, vxc, vxc_tau
[all …]