cp_realspace_grid_cube Module Reference

A wrapper around pw_to_cube() which accepts particle_list_type. More...

Functions/Subroutines
subroutine, public	cp_pw_to_cube (pw, unit_nr, title, particles, stride, zero_tails, silent, mpi_io)
	...
subroutine, public	cp_pw_to_simple_volumetric (pw, unit_nr, stride, pw2)
	Prints grid in a simple format: X Y Z value.
subroutine, public	cp_cube_to_pw (grid, filename, scaling, silent)
	Thin wrapper around routine cube_to_pw.

Detailed Description

A wrapper around pw_to_cube() which accepts particle_list_type.

Author

Ole Schuett

Function/Subroutine Documentation

cp_pw_to_cube()

subroutine, public cp_realspace_grid_cube::cp_pw_to_cube	(	type(pw_r3d_rs_type), intent(in)	pw,
		integer, intent(in)	unit_nr,
		character(*), intent(in), optional	title,
		type(particle_list_type), pointer	particles,
		integer, dimension(:), optional, pointer	stride,
		logical, intent(in), optional	zero_tails,
		logical, intent(in), optional	silent,
		logical, intent(in), optional	mpi_io
	)

...

Parameters

pw	...
unit_nr	...
title	...
particles	...
stride	...
zero_tails	...
silent	minimal I/O
mpi_io	True if cube should be written in parallel using MPI

Definition at line 44 of file cp_realspace_grid_cube.F.

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cp_pw_to_simple_volumetric()

subroutine, public cp_realspace_grid_cube::cp_pw_to_simple_volumetric	(	type(pw_r3d_rs_type), intent(in)	pw,
		integer, intent(in)	unit_nr,
		integer, dimension(:), optional, pointer	stride,
		type(pw_r3d_rs_type), intent(in), optional	pw2
	)

Prints grid in a simple format: X Y Z value.

Parameters

pw	...
unit_nr	...
stride	...
pw2	...

History

Created [Vladimir Rybkin] (08.2017)

Definition at line 89 of file cp_realspace_grid_cube.F.

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cp_cube_to_pw()

subroutine, public cp_realspace_grid_cube::cp_cube_to_pw	(	type(pw_r3d_rs_type), intent(in)	grid,
		character(len=*), intent(in)	filename,
		real(kind=dp), intent(in)	scaling,
		logical, intent(in), optional	silent
	)

Thin wrapper around routine cube_to_pw.

Parameters

grid	pw to read from cube file
filename	name of cube file
scaling	scale values before storing
silent	minimal I/O

History

Created [Nico Holmberg] (09.2018)

Definition at line 112 of file cp_realspace_grid_cube.F.

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