qs_update_s_mstruct Module Reference

qs_environment methods that use many other modules More...

Functions/Subroutines
subroutine, public	qs_env_update_s_mstruct (qs_env)
	updates the s_mstruct to reflect the new overlap structure, and also updates rho_core distribution. Should be called after the atoms have moved and the new overlap has been calculated.

Detailed Description

qs_environment methods that use many other modules

History

09.2002 created [fawzi]

• local atom distribution (25.06.2003,MK)

Author

Fawzi Mohamed

Function/Subroutine Documentation

qs_env_update_s_mstruct()

subroutine, public qs_update_s_mstruct::qs_env_update_s_mstruct

(

type(qs_environment_type), pointer

qs_env

)

updates the s_mstruct to reflect the new overlap structure, and also updates rho_core distribution. Should be called after the atoms have moved and the new overlap has been calculated.

Parameters

qs_env

the environment to update

History

07.2002 created [fawzi]

Author

Fawzi Mohamed

Definition at line 64 of file qs_update_s_mstruct.F.

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