(git:e7e05ae)
qs_tddfpt2_subgroups.F File Reference

Go to the source code of this file.

Modules

module  qs_tddfpt2_subgroups
 

Functions/Subroutines

subroutine, public qs_tddfpt2_subgroups::tddfpt_sub_env_init (sub_env, qs_env, mos_occ, kernel)
 Split MPI communicator to create a set of parallel (sub)groups. More...
 
subroutine, public qs_tddfpt2_subgroups::tddfpt_sub_env_release (sub_env)
 Release parallel group environment. More...
 
subroutine, public qs_tddfpt2_subgroups::tddfpt_dbcsr_create_by_dist (matrix, template, dbcsr_dist, sab)
 Create a DBCSR matrix based on a template matrix, distribution object, and the list of neighbours. More...
 
subroutine, public qs_tddfpt2_subgroups::tddfpt_fm_replicate_across_subgroups (fm_src, fm_dest_sub, sub_env)
 Replicate a globally distributed matrix across all sub-groups. At the end every sub-group will hold a local copy of the original globally distributed matrix. More...