[ase-users] Support for ORCA in ASE?
Martin Rahm
martinr at kth.se
Fri Mar 24 05:30:32 CET 2017
Hi everyone,
The list of supported codes in ASE is impressive... with one important and
borderline glaring exception. Adding ORCA support in ASE would enable
powerful flexibility which currently is not available for ORCA users
(unless you code it yourself from scratch).
I'm one of many that have been waiting and hoping for this to change. Any
chance that it will? I've posted a similar request on the ORCA forum.
I am guessing such an effort would probably best be undertaken by one of
the developers of ORCA as it would make that code even more useful and
accessible, and limit the chances of bugs in the ASE-implementation.
hopeful regards,
Martin
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