Documentation for module realspace_grid_cube

Generate Gaussian cube files

source: realspace_grid_cube.F
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public Subroutines/Functions:

Computes the external density on the grid hacked from external_read_density
...

SUBROUTINEcube_to_pw(grid, filename, scaling)

Computes the external density on the grid hacked from external_read_density

Arguments:
TYPE(pw_type),
POINTER
:: grid pw to read from cube file
CHARACTER(*),
INTENT(in)
:: filename name of cube file
REAL(dp),
INTENT(in)
:: scaling scale values before storing

SUBROUTINEpw_to_cube(pw, unit_nr, title, particles_r, particles_z, stride, zero_tails)

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Arguments:
TYPE(pw_type),
POINTER
:: pw ...
INTEGER,
INTENT(in)
:: unit_nr ...
CHARACTER(*),
INTENT(in),
OPTIONAL
:: title ...
REAL(dp),
INTENT(in),
OPTIONAL
:: particles_r(:,:) ...
INTEGER,
INTENT(in),
OPTIONAL
:: particles_z(:) ...
INTEGER,
OPTIONAL, POINTER
:: stride(:) ...
LOGICAL,
INTENT(in),
OPTIONAL
:: zero_tails ...