/dports/lang/gcc12-devel/gcc-12-20211205/gcc/testsuite/gfortran.dg/graphite/ |
H A D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 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 D | pr42050.f90 | 9 SUBROUTINE sic_explicit_orbitals( ) subroutine 24 END SUBROUTINE sic_explicit_orbitals argument
|
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_ks_utils.F | 399 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 D | qs_ks_utils.F | 401 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 …]
|