shell_potential_types Module Reference

Functions/Subroutines
elemental subroutine, public	get_shell (shell, charge, charge_core, charge_shell, mass_core, mass_shell, k2_spring, k4_spring, max_dist, shell_cutoff)
	... More...
subroutine, public	shell_p_create (shell_list, ndim)
	... More...
subroutine, public	shell_p_release (shell_list)
	... More...

Detailed Description

Author

MI (12.01.2007)

Function/Subroutine Documentation

get_shell()

elemental subroutine, public shell_potential_types::get_shell	(	type(shell_kind_type), intent(in)	shell,
		real(kind=dp), intent(out), optional	charge,
		real(kind=dp), intent(out), optional	charge_core,
		real(kind=dp), intent(out), optional	charge_shell,
		real(kind=dp), intent(out), optional	mass_core,
		real(kind=dp), intent(out), optional	mass_shell,
		real(kind=dp), intent(out), optional	k2_spring,
		real(kind=dp), intent(out), optional	k4_spring,
		real(kind=dp), intent(out), optional	max_dist,
		real(kind=dp), intent(out), optional	shell_cutoff
	)

...

Parameters

shell	...
charge	...
charge_core	...
charge_shell	...
mass_core	...
mass_shell	...
k2_spring	...
k4_spring	...
max_dist	...
shell_cutoff	...

Definition at line 69 of file shell_potential_types.F.

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shell_p_create()

subroutine, public shell_potential_types::shell_p_create	(	type(shell_p_type), dimension(:), pointer	shell_list,
		integer, intent(in)	ndim
	)

...

Parameters

shell_list	...
ndim	...

Definition at line 94 of file shell_potential_types.F.

shell_p_release()

subroutine, public shell_potential_types::shell_p_release

(

type(shell_p_type), dimension(:), pointer

shell_list

)

...

Parameters

shell_list

...

Definition at line 114 of file shell_potential_types.F.

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