pint_piglet Module Reference

Methods to apply the piglet thermostat to PI runs. More...

Functions/Subroutines
subroutine, public	pint_piglet_create (piglet_therm, pint_env, section)
	creates the data structure for a piglet thermostating in PI runs
subroutine, public	pint_piglet_init (piglet_therm, pint_env, section, dt, para_env)
	initializes the data for a piglet run
subroutine, public	pint_piglet_step (vold, vnew, first_mode, masses, piglet_therm)
	...
subroutine, public	pint_piglet_release (piglet_therm)
	releases the piglet environment
elemental subroutine, public	pint_calc_piglet_energy (pint_env)
	returns the piglet kinetic energy contribution

Detailed Description

Methods to apply the piglet thermostat to PI runs.

Author

Felix Uhl

History

10.2014 created [Felix Uhl]

Function/Subroutine Documentation

pint_piglet_create()

subroutine, public pint_piglet::pint_piglet_create	(	type(piglet_therm_type), intent(out)	piglet_therm,
		type(pint_env_type), intent(in)	pint_env,
		type(section_vals_type), pointer	section
	)

creates the data structure for a piglet thermostating in PI runs

Parameters

piglet_therm	...
pint_env	...
section	...

Author

Felix Uhl

Definition at line 91 of file pint_piglet.F.

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pint_piglet_init()

subroutine, public pint_piglet::pint_piglet_init	(	type(piglet_therm_type), intent(inout)	piglet_therm,
		type(pint_env_type), intent(inout)	pint_env,
		type(section_vals_type), pointer	section,
		real(kind=dp), intent(in)	dt,
		type(mp_para_env_type), pointer	para_env
	)

initializes the data for a piglet run

Parameters

piglet_therm	...
pint_env	...
section	...
dt	...
para_env	...

Author

Felix Uhl

Definition at line 141 of file pint_piglet.F.

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pint_piglet_step()

subroutine, public pint_piglet::pint_piglet_step	(	real(kind=dp), dimension(:, :), pointer	vold,
		real(kind=dp), dimension(:, :), pointer	vnew,
		integer, intent(in)	first_mode,
		real(kind=dp), dimension(:, :), intent(in)	masses,
		type(piglet_therm_type), pointer	piglet_therm
	)

...

Parameters

vold	...
vnew	...
first_mode	...
masses	...
piglet_therm	...

Definition at line 410 of file pint_piglet.F.

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pint_piglet_release()

subroutine, public pint_piglet::pint_piglet_release

(

type(piglet_therm_type), intent(inout)

piglet_therm

)

releases the piglet environment

Parameters

piglet_therm

piglet data to be released

Author

Felix Uhl

Definition at line 508 of file pint_piglet.F.

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pint_calc_piglet_energy()

elemental subroutine, public pint_piglet::pint_calc_piglet_energy

(

type(pint_env_type), intent(inout)

pint_env

)

returns the piglet kinetic energy contribution

Parameters

pint_env

...

Author

Felix Uhl

Definition at line 672 of file pint_piglet.F.

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