helium_methods Module Reference

Methods dealing with helium_solvent_type. More...

Functions/Subroutines
subroutine, public	helium_create (helium_env, input, solute)
	Data-structure that holds all needed information about (superfluid) helium solvent.
subroutine, public	helium_release (helium_env)
	Releases helium_solvent_type.
subroutine, public	helium_init (helium_env, pint_env)
	Initialize helium data structures.

Detailed Description

Methods dealing with helium_solvent_type.

Author

Lukasz Walewski

Date

2009-06-10

Function/Subroutine Documentation

helium_create()

subroutine, public helium_methods::helium_create	(	type(helium_solvent_p_type), dimension(:), pointer	helium_env,
		type(section_vals_type), pointer	input,
		type(pint_env_type), intent(in), optional	solute
	)

Data-structure that holds all needed information about (superfluid) helium solvent.

Parameters

helium_env	...
input	...
solute	...

History

2016-07-14 Modified to work with independent helium_env [cschran] 2023-07-23 Modified to work with NNP solute-solvent interactions [lduran]

Author

hforbert

Definition at line 112 of file helium_methods.F.

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helium_release()

subroutine, public helium_methods::helium_release

(

type(helium_solvent_p_type), dimension(:), pointer

helium_env

)

Releases helium_solvent_type.

Parameters

helium_env

...

History

2016-07-14 Modified to work with independent helium_env [cschran]

Author

hforbert

Definition at line 855 of file helium_methods.F.

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helium_init()

subroutine, public helium_methods::helium_init	(	type(helium_solvent_p_type), dimension(:), pointer	helium_env,
		type(pint_env_type), intent(in)	pint_env
	)

Initialize helium data structures.

Parameters

helium_env	...
pint_env	...

History

removed references to pint_env_type data structure [lwalewski] 2009-11-10 init/restore coords, perm, RNG and forces [lwalewski] 2016-07-14 Modified to work with independent helium_env [cschran]

Author

hforbert

Note

Initializes helium coordinates either as random positions or from HELIUMCOORD section if it's present in the input file. Initializes helium permutation state as identity permutation or from HELIUMPERM section if it's present in the input file.

Definition at line 1055 of file helium_methods.F.

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