atprop_types Module Reference

Holds information on atomic properties. More...

Data Types
type	atprop_type
	type for the atomic properties More...

Functions/Subroutines
subroutine, public	atprop_create (atprop_env)
	...
subroutine, public	atprop_init (atprop_env, natom)
	...
subroutine, public	atprop_array_init (atarray, natom)
	...
subroutine, public	atprop_array_add (array_a, array_b)
	...
subroutine, public	atprop_release (atprop_env)
	releases the atprop

Detailed Description

Holds information on atomic properties.

History

07.2011 created

Author

JHU

Function/Subroutine Documentation

atprop_create()

subroutine, public atprop_types::atprop_create

(

type(atprop_type), pointer

atprop_env

)

...

Parameters

atprop_env

...

Definition at line 50 of file atprop_types.F.

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atprop_init()

subroutine, public atprop_types::atprop_init	(	type(atprop_type), intent(inout)	atprop_env,
		integer, intent(in)	natom
	)

...

Parameters

atprop_env	...
natom	...

Definition at line 63 of file atprop_types.F.

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atprop_array_init()

subroutine, public atprop_types::atprop_array_init	(	real(kind=dp), dimension(:), pointer	atarray,
		integer, intent(in)	natom
	)

...

Parameters

atarray	...
natom	...

Definition at line 86 of file atprop_types.F.

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atprop_array_add()

subroutine, public atprop_types::atprop_array_add	(	real(kind=dp), dimension(:), intent(inout)	array_a,
		real(kind=dp), dimension(:), intent(in), pointer	array_b
	)

...

Parameters

array_a	...
array_b	...

Definition at line 117 of file atprop_types.F.

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atprop_release()

subroutine, public atprop_types::atprop_release

(

type(atprop_type), pointer

atprop_env

)

releases the atprop

Parameters

atprop_env

the object to release

Author

fawzi

Definition at line 132 of file atprop_types.F.

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