Documentation for module dm_ls_scf_curvy

density matrix optimization using exponential transformations

source: dm_ls_scf_curvy.F
Loading...

public Subroutines/Functions:

...
driver routine for Head-Gordon curvy step approach

SUBROUTINEdeallocate_curvy_data(curvy_data)

...

Arguments:
:: curvy_data ...

SUBROUTINEdm_ls_curvy_optimization(ls_scf_env, energy, check_conv)

driver routine for Head-Gordon curvy step approach

Arguments:
:: ls_scf_env ...
REAL(dp)
:: energy ...
LOGICAL
:: check_conv ...