(git:b279b6b)
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#include "./base/base_uses.f90"
Go to the source code of this file.
Modules | |
module | almo_scf_diis_types |
A DIIS implementation for the ALMO-based SCF methods. | |
Functions/Subroutines | |
subroutine, public | almo_scf_diis_types::almo_scf_diis_push (diis_env, var, err, d_var, d_err) |
adds a variable-error pair to the diis structure More... | |
subroutine, public | almo_scf_diis_types::almo_scf_diis_extrapolate (diis_env, extr_var, d_extr_var) |
extrapolates the variable using the saved history More... | |
subroutine, public | almo_scf_diis_types::almo_scf_diis_release (diis_env) |
destroys the diis structure More... | |