Documentation for module qmmm_gaussian_types

Sets the typo for the gaussian treatment of the qm/mm interaction

source: qmmm_gaussian_types.F
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public Types:

qmmm_gaussian_p_type
represent a pointer to a qmmm_gaussian_type, to be able to create arrays of pointers
qmmm_gaussian_type
...

public Types:

TYPE :: qmmm_gaussian_p_type

represent a pointer to a qmmm_gaussian_type, to be able to create arrays of pointers


POINTER :: pgf ...

TYPE :: qmmm_gaussian_type

...


INTEGER
:: number_of_gaussians ...
REAL(dp)
:: elp_radius ...
REAL(dp)
:: elp_radius_corr ...
INTEGER,
DIMENSION(:), POINTER :: grid_level ...
REAL(dp),
DIMENSION(:), POINTER :: ak ...
REAL(dp),
DIMENSION(:), POINTER :: gk ...