qs_update_s_mstruct.F File Reference

#include "./base/base_uses.f90"

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Modules
module	qs_update_s_mstruct
	qs_environment methods that use many other modules

Functions/Subroutines
subroutine, public	qs_update_s_mstruct::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.