https://bugzilla.redhat.com/show_bug.cgi?id=1419379
Bug ID: 1419379
Summary: Review Request: libefp - A full implementation of the
Effective Fragment Potential (EFP) method
Product: Fedora
Version: rawhide
Component: Package Review
Severity: medium
Priority: medium
Assignee: [email protected]
Reporter: [email protected]
QA Contact: [email protected]
CC: [email protected]
Spec URL: https://jussilehtola.fedorapeople.org/libefp.spec
SRPM URL: https://jussilehtola.fedorapeople.org/libefp-1.4.1-1.fc25.src.rpm
Fedora Account System Username: jussilehtola
Description:
The Effective Fragment Potential (EFP) method allows one to describe
large molecular systems by replacing chemically inert part of a system
by a set of Effective Fragments while performing regular ab initio
calculation on the chemically active part. The LIBEFP library is a
full implementation of the EFP method. It allows users to easily
incorporate EFP support into their favourite quantum chemistry
package.
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