qs_linres_epr_ownutils Module Reference

Functions/Subroutines
subroutine, public	epr_g_print (epr_env, qs_env)
	Prints the g tensor.
subroutine, public	epr_g_zke (epr_env, qs_env)
	Calculate zke part of the g tensor.
subroutine, public	epr_g_so (epr_env, current_env, qs_env, ib)
	Calculates g_so.
subroutine, public	epr_g_soo (epr_env, current_env, qs_env, ib)
	Calculates g_soo (soft part only for now)
subroutine, public	epr_ind_magnetic_field (epr_env, current_env, qs_env, ib)
	...

Detailed Description

History

created 06-2006 [RD]

Author

RD

Function/Subroutine Documentation

epr_g_print()

subroutine, public qs_linres_epr_ownutils::epr_g_print	(	type(epr_env_type)	epr_env,
		type(qs_environment_type), pointer	qs_env
	)

Prints the g tensor.

Parameters

epr_env	...
qs_env	...

History

06.2006 created [RD]

Author

RD

Definition at line 96 of file qs_linres_epr_ownutils.F.

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epr_g_zke()

subroutine, public qs_linres_epr_ownutils::epr_g_zke	(	type(epr_env_type)	epr_env,
		type(qs_environment_type), pointer	qs_env
	)

Calculate zke part of the g tensor.

Parameters

epr_env	...
qs_env	...

History

06.2006 created [RD]

Author

RD

Definition at line 218 of file qs_linres_epr_ownutils.F.

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epr_g_so()

subroutine, public qs_linres_epr_ownutils::epr_g_so	(	type(epr_env_type)	epr_env,
		type(current_env_type)	current_env,
		type(qs_environment_type), pointer	qs_env,
		integer, intent(in)	ib
	)

Calculates g_so.

Parameters

epr_env	...
current_env	...
qs_env	...
iB	...

History

06.2006 created [RD]

Author

RD

Definition at line 275 of file qs_linres_epr_ownutils.F.

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epr_g_soo()

subroutine, public qs_linres_epr_ownutils::epr_g_soo	(	type(epr_env_type)	epr_env,
		type(current_env_type)	current_env,
		type(qs_environment_type), pointer	qs_env,
		integer, intent(in)	ib
	)

Calculates g_soo (soft part only for now)

Parameters

epr_env	...
current_env	...
qs_env	...
iB	...

History

06.2006 created [RD]

Author

RD

Definition at line 539 of file qs_linres_epr_ownutils.F.

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epr_ind_magnetic_field()

subroutine, public qs_linres_epr_ownutils::epr_ind_magnetic_field	(	type(epr_env_type)	epr_env,
		type(current_env_type)	current_env,
		type(qs_environment_type), pointer	qs_env,
		integer, intent(in)	ib
	)

...

Parameters

epr_env	...
current_env	...
qs_env	...
iB	...

Definition at line 760 of file qs_linres_epr_ownutils.F.

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