Octopus
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Functions/Subroutines | |
program | oct_convert |
This utility runs in parallel and can be used for post-processing of the results of Output. More... | |
subroutine | convert () |
Reads an binary file and writes the equivalent files, defined with OutputFormat. This is a high-level interface that reads the input file and calls the proper function. More... | |
subroutine | convert_low (mesh, namespace, space, ions, psolver, mc, basename, in_folder, c_start, c_end, c_step, outp, iterate_folder, subtract_file, ref_name, ref_folder) |
Giving a range of input files, it writes the corresponding output files. More... | |
subroutine | convert_transform (mesh, namespace, space, ions, mc, kpoints, basename, in_folder, c_start, c_end, c_step, outp, subtract_file, ref_name, ref_folder) |
Giving a range of input files, it computes the Fourier transform of the file. More... | |
subroutine | convert_operate (mesh, namespace, space, ions, mc, outp) |
Given a set of mesh function operations it computes a a resulting mesh function from linear combination of them. More... | |
program oct_convert |
This utility runs in parallel and can be used for post-processing of the results of Output.
Definition at line 116 of file convert.F90.
subroutine oct_convert::convert |
Reads an binary file and writes the equivalent files, defined with OutputFormat. This is a high-level interface that reads the input file and calls the proper function.
Definition at line 198 of file convert.F90.
subroutine oct_convert::convert_low | ( | class(mesh_t), intent(in) | mesh, |
type(namespace_t), intent(in) | namespace, | ||
class(space_t), intent(in) | space, | ||
type(ions_t), intent(in) | ions, | ||
type(poisson_t), intent(in) | psolver, | ||
type(multicomm_t), intent(in) | mc, | ||
character(len=*), intent(inout) | basename, | ||
character(len=*), intent(in) | in_folder, | ||
integer, intent(in) | c_start, | ||
integer, intent(in) | c_end, | ||
integer, intent(in) | c_step, | ||
type(output_t), intent(in) | outp, | ||
logical, intent(in) | iterate_folder, | ||
logical, intent(in) | subtract_file, | ||
character(len=*), intent(inout) | ref_name, | ||
character(len=*), intent(inout) | ref_folder | ||
) |
Giving a range of input files, it writes the corresponding output files.
[in,out] | basename | File name |
[in] | in_folder | Folder name |
[in] | c_start | The first file number |
[in] | c_end | The last file number |
[in] | c_step | The step between files |
[in] | outp | Output object; Decides the kind, what and where to output |
[in] | iterate_folder | If true, it iterates over the folders, keeping the filename fixed. If false, it iterates over the filenames |
[in] | subtract_file | If true, it subtracts the density from the reference |
[in,out] | ref_name | Reference file name |
[in,out] | ref_folder | Reference folder name |
Definition at line 369 of file convert.F90.
subroutine oct_convert::convert_transform | ( | class(mesh_t), intent(in) | mesh, |
type(namespace_t), intent(in) | namespace, | ||
class(space_t), intent(in) | space, | ||
type(ions_t), intent(in) | ions, | ||
type(multicomm_t), intent(in) | mc, | ||
type(kpoints_t), intent(in) | kpoints, | ||
character(len=*), intent(inout) | basename, | ||
character(len=*), intent(in) | in_folder, | ||
integer, intent(in) | c_start, | ||
integer, intent(in) | c_end, | ||
integer, intent(in) | c_step, | ||
type(output_t), intent(in) | outp, | ||
logical, intent(in) | subtract_file, | ||
character(len=*), intent(inout) | ref_name, | ||
character(len=*), intent(inout) | ref_folder | ||
) |
Giving a range of input files, it computes the Fourier transform of the file.
[in,out] | basename | File name |
[in] | in_folder | Folder name |
[in] | c_start | The first file number |
[in] | c_end | The last file number |
[in] | c_step | The step between files |
[in] | outp | Output object; Decides the kind, what and where to output |
[in] | subtract_file | If true, it subtracts the density from the reference |
[in,out] | ref_name | Reference file name |
[in,out] | ref_folder | Reference folder name |
Definition at line 502 of file convert.F90.
subroutine oct_convert::convert_operate | ( | class(mesh_t), intent(in) | mesh, |
type(namespace_t), intent(in) | namespace, | ||
class(space_t), intent(in) | space, | ||
type(ions_t), intent(in) | ions, | ||
type(multicomm_t), intent(in) | mc, | ||
type(output_t), intent(in) | outp | ||
) |
Given a set of mesh function operations it computes a a resulting mesh function from linear combination of them.
[in] | outp | Output object; Decides the kind, what and where to output |
Definition at line 866 of file convert.F90.