Octopus
convert.F90 File Reference

Go to the source code of this file.

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...
 

Function/Subroutine Documentation

◆ oct_convert()

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.

◆ convert()

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.

◆ convert_low()

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.

Parameters
[in,out]basenameFile name
[in]in_folderFolder name
[in]c_startThe first file number
[in]c_endThe last file number
[in]c_stepThe step between files
[in]outpOutput object; Decides the kind, what and where to output
[in]iterate_folderIf true, it iterates over the folders, keeping the filename fixed. If false, it iterates over the filenames
[in]subtract_fileIf true, it subtracts the density from the reference
[in,out]ref_nameReference file name
[in,out]ref_folderReference folder name

Definition at line 369 of file convert.F90.

◆ convert_transform()

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.

Parameters
[in,out]basenameFile name
[in]in_folderFolder name
[in]c_startThe first file number
[in]c_endThe last file number
[in]c_stepThe step between files
[in]outpOutput object; Decides the kind, what and where to output
[in]subtract_fileIf true, it subtracts the density from the reference
[in,out]ref_nameReference file name
[in,out]ref_folderReference folder name

Definition at line 502 of file convert.F90.

◆ convert_operate()

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.

Parameters
[in]outpOutput object; Decides the kind, what and where to output

Definition at line 866 of file convert.F90.