ec_environment Module Reference

Energy correction environment setup and handling. More...

Functions/Subroutines
subroutine, public	ec_env_create (qs_env, ec_env, dft_section, ec_section)
	Allocates and intitializes ec_env.
subroutine, public	ec_write_input (ec_env)
	Print out the energy correction input section.

Detailed Description

Energy correction environment setup and handling.

History

2019.09 created

Author

JGH

Function/Subroutine Documentation

ec_env_create()

subroutine, public ec_environment::ec_env_create	(	type(qs_environment_type), pointer	qs_env,
		type(energy_correction_type), pointer	ec_env,
		type(section_vals_type), pointer	dft_section,
		type(section_vals_type), optional, pointer	ec_section
	)

Allocates and intitializes ec_env.

Parameters

qs_env	The QS environment
ec_env	The energy correction environment (the object to create)
dft_section	The DFT section
ec_section	The energy correction input section

History

2019.09 created

Author

JGH

Definition at line 87 of file ec_environment.F.

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ec_write_input()

subroutine, public ec_environment::ec_write_input

(

type(energy_correction_type), pointer

ec_env

)

Print out the energy correction input section.

Parameters

ec_env

...

History

2020.10 created [Fabian Belleflamme]

Author

Fabian Belleflamme

Definition at line 492 of file ec_environment.F.

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