(git:58e3e09)
qs_update_s_mstruct.F File Reference

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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. More...