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Octopus
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this module contains the output system More...
this module contains the output system
Functions/Subroutines | |
subroutine, public | output_init (outp, namespace, space, st, gr, nst, ks) |
subroutine, public | output_all (outp, namespace, space, dir, gr, ions, iter, st, hm, ks) |
subroutine | output_localization_funct (outp, namespace, space, dir, st, hm, gr, ions, iter) |
subroutine | calc_electronic_pressure (st, hm, gr, pressure) |
subroutine | output_energy_density (outp, namespace, space, dir, hm, ks, st, ions, gr) |
logical function, public | output_need_exchange (outp) |
subroutine | output_dftu_orbitals (outp, dir, namespace, space, this, st, mesh, ions, has_phase) |
logical function, public | output_needs_current (outp, states_are_real) |
subroutine | output_etsf (outp, namespace, space, dir, st, gr, kpoints, ions, iter) |
To create an etsf file one has to do the following: More... | |
subroutine | output_etsf_file_init (filename, filetype, dims, flags, ncid, namespace) |
subroutine | output_etsf_error (error_data, namespace) |
subroutine | output_etsf_geometry_dims (ions, symm, dims, flags) |
subroutine | output_etsf_geometry_write (ions, symm, ncid, namespace, box) |
subroutine | output_etsf_kpoints_dims (kpoints, dims, flags) |
subroutine | output_etsf_kpoints_write (kpoints, dim, ncid, namespace) |
subroutine | output_etsf_electrons_dims (st, dims, flags) |
subroutine | output_etsf_electrons_write (st, ncid, namespace) |
subroutine | output_etsf_density_dims (st, cube, dims, flags) |
subroutine | output_etsf_density_write (st, mesh, cube, cf, ncid, namespace) |
subroutine | output_etsf_wfs_rsp_dims (st, cube, dims, flags) |
subroutine | output_etsf_wfs_rsp_write (st, mesh, cube, cf, ncid, namespace) |
subroutine | output_etsf_basisdata_dims (flags) |
subroutine | output_etsf_basisdata_write (mesh, shell, ncid, namespace) |
subroutine | output_etsf_wfs_pw_dims (shell, dims, flags) |
subroutine | output_etsf_wfs_pw_write (st, mesh, cube, cf, shell, ncid, namespace) |
subroutine | output_etsf_io_low_error_handle (error_data) |
DAS: copied from ETSF_IO 1.0.3 etsf_io_low_level.f90, changed to send output to standard error *** m etsf_io_low_error_group/etsf_io_low_error_handle NAME etsf_io_low_error_handle. More... | |
subroutine, public | output_states (outp, namespace, space, dir, st, gr, ions, hm, iter) |
subroutine, public | output_current_flow (outp, namespace, space, dir, gr, st, kpoints) |
subroutine, public | output_hamiltonian (outp, namespace, space, dir, hm, st, der, ions, gr, iter, grp) |
subroutine, public | output_scalar_pot (outp, namespace, space, dir, mesh, ions, ext_partners, time) |
subroutine | output_xc_torque (outp, namespace, dir, mesh, hm, st, ions, space) |
subroutine, public | zoutput_lr (outp, namespace, space, dir, st, mesh, lr, idir, isigma, ions, pert_unit) |
subroutine, public | doutput_lr (outp, namespace, space, dir, st, mesh, lr, idir, isigma, ions, pert_unit) |
subroutine, public output_oct_m::output_init | ( | type(output_t), intent(out) | outp, |
type(namespace_t), intent(in) | namespace, | ||
class(space_t), intent(in) | space, | ||
type(states_elec_t), intent(in) | st, | ||
type(grid_t), intent(in) | gr, | ||
integer, intent(in) | nst, | ||
type(v_ks_t), intent(inout) | ks | ||
) |
Definition at line 207 of file output.F90.
subroutine, public output_oct_m::output_all | ( | type(output_t), intent(in) | outp, |
type(namespace_t), intent(in) | namespace, | ||
class(space_t), intent(in) | space, | ||
character(len=*), intent(in) | dir, | ||
type(grid_t), intent(in) | gr, | ||
type(ions_t), intent(in) | ions, | ||
integer, intent(in) | iter, | ||
type(states_elec_t), intent(inout) | st, | ||
type(hamiltonian_elec_t), intent(inout) | hm, | ||
type(v_ks_t), intent(inout) | ks | ||
) |
Definition at line 492 of file output.F90.
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Definition at line 644 of file output.F90.
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Definition at line 760 of file output.F90.
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Definition at line 808 of file output.F90.
logical function, public output_oct_m::output_need_exchange | ( | type(output_t), intent(in) | outp | ) |
Definition at line 875 of file output.F90.
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Definition at line 885 of file output.F90.
logical function, public output_oct_m::output_needs_current | ( | type(output_t), intent(in) | outp, |
logical, intent(in) | states_are_real | ||
) |
Definition at line 978 of file output.F90.
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To create an etsf file one has to do the following:
Definition at line 1029 of file output.F90.
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Definition at line 1199 of file output.F90.
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Definition at line 1231 of file output.F90.
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Definition at line 1246 of file output.F90.
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Definition at line 1265 of file output.F90.
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Definition at line 1358 of file output.F90.
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Definition at line 1374 of file output.F90.
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Definition at line 1410 of file output.F90.
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Definition at line 1432 of file output.F90.
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Definition at line 1476 of file output.F90.
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Definition at line 1497 of file output.F90.
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Definition at line 1552 of file output.F90.
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Definition at line 1577 of file output.F90.
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Definition at line 1655 of file output.F90.
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Definition at line 1669 of file output.F90.
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Definition at line 1715 of file output.F90.
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Definition at line 1733 of file output.F90.
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DAS: copied from ETSF_IO 1.0.3 etsf_io_low_level.f90, changed to send output to standard error *** m etsf_io_low_error_group/etsf_io_low_error_handle NAME etsf_io_low_error_handle.
FUNCTION This method can be used to output the informations contained in an error structure. The output is done on standard output. Write your own method if custom error handling is required.
COPYRIGHT Copyright (C) 2006, 2007 (Damien Caliste) This file is distributed under the terms of the GNU Lesser General Public License, see the COPYING file or http:
INPUTS
SOURCE
Definition at line 1828 of file output.F90.
subroutine, public output_oct_m::output_states | ( | type(output_t), intent(in) | outp, |
type(namespace_t), intent(in) | namespace, | ||
class(space_t), intent(in) | space, | ||
character(len=*), intent(in) | dir, | ||
type(states_elec_t), intent(in) | st, | ||
type(grid_t), intent(in) | gr, | ||
type(ions_t), intent(in) | ions, | ||
type(hamiltonian_elec_t), intent(in) | hm, | ||
integer, intent(in) | iter | ||
) |
Definition at line 1897 of file output.F90.
subroutine, public output_oct_m::output_current_flow | ( | type(output_t), intent(in) | outp, |
type(namespace_t), intent(in) | namespace, | ||
class(space_t), intent(in) | space, | ||
character(len=*), intent(in) | dir, | ||
type(grid_t), intent(in) | gr, | ||
type(states_elec_t), intent(in) | st, | ||
type(kpoints_t), intent(in) | kpoints | ||
) |
Definition at line 2085 of file output.F90.
subroutine, public output_oct_m::output_hamiltonian | ( | type(output_t), intent(in) | outp, |
type(namespace_t), intent(in) | namespace, | ||
class(space_t), intent(in) | space, | ||
character(len=*), intent(in) | dir, | ||
type(hamiltonian_elec_t), intent(in) | hm, | ||
type(states_elec_t), intent(inout) | st, | ||
type(derivatives_t), intent(in) | der, | ||
type(ions_t), intent(in) | ions, | ||
type(grid_t), intent(in) | gr, | ||
integer, intent(in) | iter, | ||
type(mpi_grp_t), intent(in), optional | grp | ||
) |
[in] | grp | the group that shares the same data, must contain the domains group |
Definition at line 2193 of file output.F90.
subroutine, public output_oct_m::output_scalar_pot | ( | type(output_t), intent(in) | outp, |
type(namespace_t), intent(in) | namespace, | ||
class(space_t), intent(in) | space, | ||
character(len=*), intent(in) | dir, | ||
class(mesh_t), intent(in) | mesh, | ||
type(ions_t), intent(in) | ions, | ||
type(partner_list_t), intent(in) | ext_partners, | ||
real(real64), intent(in), optional | time | ||
) |
Definition at line 2475 of file output.F90.
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Definition at line 2512 of file output.F90.
subroutine, public output_oct_m::zoutput_lr | ( | type(output_t), intent(in) | outp, |
type(namespace_t), intent(in) | namespace, | ||
class(space_t), intent(in) | space, | ||
character(len=*), intent(in) | dir, | ||
type(states_elec_t), intent(in) | st, | ||
class(mesh_t), intent(in) | mesh, | ||
type(lr_t), intent(in) | lr, | ||
integer, intent(in) | idir, | ||
integer, intent(in) | isigma, | ||
type(ions_t), intent(in) | ions, | ||
type(unit_t), intent(in) | pert_unit | ||
) |
[in] | idir | direction of perturbation |
[in] | pert_unit | unit for perturbation |
Definition at line 2619 of file output.F90.
subroutine, public output_oct_m::doutput_lr | ( | type(output_t), intent(in) | outp, |
type(namespace_t), intent(in) | namespace, | ||
class(space_t), intent(in) | space, | ||
character(len=*), intent(in) | dir, | ||
type(states_elec_t), intent(in) | st, | ||
class(mesh_t), intent(in) | mesh, | ||
type(lr_t), intent(in) | lr, | ||
integer, intent(in) | idir, | ||
integer, intent(in) | isigma, | ||
type(ions_t), intent(in) | ions, | ||
type(unit_t), intent(in) | pert_unit | ||
) |
[in] | idir | direction of perturbation |
[in] | pert_unit | unit for perturbation |
Definition at line 2888 of file output.F90.