md_ener_types Module Reference

Split md_ener module from md_environment_type. More...

Functions/Subroutines
subroutine, public	create_md_ener (md_ener)
	retains the given md_ener structure More...
subroutine, public	release_md_ener (md_ener)
	releases the given md_ener structure More...
subroutine, public	zero_md_ener (md_ener, tkind, tshell)
	initialize to zero energies and temperatures More...

Detailed Description

Split md_ener module from md_environment_type.

Author

Teodoro Laino [tlaino] - 03.2008 - University of Zurich

Function/Subroutine Documentation

create_md_ener()

subroutine, public md_ener_types::create_md_ener

(

type(md_ener_type), intent(out)

md_ener

)

retains the given md_ener structure

Parameters

md_ener

...

History

10.2007 created [MI]

Author

MI

Definition at line 65 of file md_ener_types.F.

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release_md_ener()

subroutine, public md_ener_types::release_md_ener

(

type(md_ener_type), intent(inout)

md_ener

)

releases the given md_ener structure

Parameters

md_ener

...

History

10.2007 created [MI]

Author

MI

Definition at line 79 of file md_ener_types.F.

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zero_md_ener()

subroutine, public md_ener_types::zero_md_ener	(	type(md_ener_type), intent(inout)	md_ener,
		logical, intent(in)	tkind,
		logical, intent(in)	tshell
	)

initialize to zero energies and temperatures

Parameters

md_ener	...
tkind	...
tshell	...

History

10.2007 created [MI]

Author

MI

Definition at line 112 of file md_ener_types.F.

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