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qs_tddfpt2_stda_types.F File Reference

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Data Types

type  qs_tddfpt2_stda_types::stda_env_type
 

Modules

module  qs_tddfpt2_stda_types
 Simplified Tamm Dancoff approach (sTDA).
 

Functions/Subroutines

subroutine, public qs_tddfpt2_stda_types::stda_init_param (qs_env, stda_kernel, stda_control)
 Get the parameters needed for an sTDA calculation.
 
subroutine, public qs_tddfpt2_stda_types::allocate_stda_env (qs_env, stda_kernel, n_ao, nactive)
 Allocate the sTDA environment.
 
subroutine, public qs_tddfpt2_stda_types::deallocate_stda_env (stda_kernel)
 Deallocate the sTDA environment.