mp2 Module Reference

Routines to calculate MP2 energy. More...

Functions/Subroutines
subroutine, public	mp2_main (qs_env, calc_forces)
	the main entry point for MP2 calculations More...

Detailed Description

Routines to calculate MP2 energy.

History

05.2011 created [Mauro Del Ben]

Author

Mauro Del Ben

Function/Subroutine Documentation

mp2_main()

subroutine, public mp2::mp2_main	(	type(qs_environment_type), pointer	qs_env,
		logical, intent(in)	calc_forces
	)

the main entry point for MP2 calculations

Parameters

qs_env	...
calc_forces	...

Author

Mauro Del Ben

Definition at line 112 of file mp2.F.

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