(git:e7e05ae)
qs_tddfpt2_fhxc_forces.F File Reference

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Modules

module  qs_tddfpt2_fhxc_forces
 

Functions/Subroutines

subroutine, public qs_tddfpt2_fhxc_forces::fhxc_force (qs_env, ex_env, gs_mos, full_kernel, debug_forces)
 Calculate direct tddft forces. More...
 
subroutine, public qs_tddfpt2_fhxc_forces::stda_force (qs_env, ex_env, gs_mos, stda_env, sub_env, work, debug_forces)
 Simplified Tamm Dancoff approach (sTDA). Kernel contribution to forces. More...