Draft: Consolidation into a library of basic atomic integration and related routines
Code in arw.f (formerly duplicated in Src
and Src/psoplib/src
) and related files has been consolidated into a new library in Src/libatom
. The relevant module is atomlib_m
. Naming might not be optimal.
The criterion for inclusion of routines in libatom/atomlib_m.F
is to avoid extra spurious dependencies of dftu_specs
on atom
. Hence the inclusion of a routine for the generation of the soft-confinement potential, which is not really "basic".
Fixes #308 (closed)
Edited by Alberto Garcia