|
| subroutine, public | output_oct_m::output_init (outp, namespace, space, st, gr, nst, ks) |
| |
| subroutine, public | output_oct_m::output_all (outp, namespace, space, dir, gr, ions, iter, st, hm, ks) |
| |
| subroutine | output_oct_m::output_localization_funct (outp, namespace, space, dir, st, hm, gr, ions, iter) |
| |
| subroutine | out_basins (ff, filename, output_how) |
| |
| subroutine | output_oct_m::calc_electronic_pressure (st, hm, gr, pressure) |
| |
| subroutine | output_oct_m::output_energy_density (outp, namespace, space, dir, hm, ks, st, ions, gr) |
| |
| logical function, public | output_oct_m::output_need_exchange (outp) |
| |
| subroutine | output_oct_m::output_dftu_orbitals (outp, dir, namespace, space, this, st, mesh, ions, has_phase) |
| |
| logical function, public | output_oct_m::output_needs_current (outp, states_are_real) |
| |
| subroutine | output_oct_m::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_oct_m::output_etsf_file_init (filename, filetype, dims, flags, ncid, namespace) |
| |
| subroutine | output_oct_m::output_etsf_error (error_data, namespace) |
| |
| subroutine | output_oct_m::output_etsf_geometry_dims (ions, symm, dims, flags) |
| |
| subroutine | output_oct_m::output_etsf_geometry_write (ions, symm, ncid, namespace, box) |
| |
| subroutine | output_oct_m::output_etsf_kpoints_dims (kpoints, dims, flags) |
| |
| subroutine | output_oct_m::output_etsf_kpoints_write (kpoints, dim, ncid, namespace) |
| |
| subroutine | output_oct_m::output_etsf_electrons_dims (st, dims, flags) |
| |
| subroutine | output_oct_m::output_etsf_electrons_write (st, ncid, namespace) |
| |
| subroutine | output_oct_m::output_etsf_density_dims (st, cube, dims, flags) |
| |
| subroutine | output_oct_m::output_etsf_density_write (st, mesh, cube, cf, ncid, namespace) |
| |
| subroutine | output_oct_m::output_etsf_wfs_rsp_dims (st, cube, dims, flags) |
| |
| subroutine | output_oct_m::output_etsf_wfs_rsp_write (st, mesh, cube, cf, ncid, namespace) |
| |
| subroutine | output_oct_m::output_etsf_basisdata_dims (flags) |
| |
| subroutine | output_oct_m::output_etsf_basisdata_write (mesh, shell, ncid, namespace) |
| |
| subroutine | output_oct_m::output_etsf_wfs_pw_dims (shell, dims, flags) |
| |
| subroutine | output_oct_m::output_etsf_wfs_pw_write (st, mesh, cube, cf, shell, ncid, namespace) |
| |
| subroutine | output_oct_m::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_oct_m::output_states (outp, namespace, space, dir, st, gr, ions, hm, iter) |
| |
| subroutine, public | output_oct_m::output_current_flow (outp, namespace, space, dir, gr, st, kpoints) |
| |
| subroutine, public | output_oct_m::output_hamiltonian (outp, namespace, space, dir, hm, st, der, ions, gr, iter, grp) |
| |
| subroutine, public | output_oct_m::output_scalar_pot (outp, namespace, space, dir, mesh, ions, ext_partners, time) |
| |
| subroutine | output_oct_m::output_xc_torque (outp, namespace, dir, mesh, hm, st, ions, space) |
| |
| subroutine, public | output_oct_m::zoutput_lr (outp, namespace, space, dir, st, mesh, lr, idir, isigma, ions, pert_unit) |
| |
| subroutine | lr_elf (filename1, filename2) |
| |
| subroutine, public | output_oct_m::doutput_lr (outp, namespace, space, dir, st, mesh, lr, idir, isigma, ions, pert_unit) |
| |
1.9.4