- Name: libr12
- Version: 1.1.4
- Release: 3.fc14
- Epoch:
- Group: System Environment/Libraries
- License: GPLv2+
- Url: http://www.files.chem.vt.edu/chem-dept/valeev/software/libint/libint.html
- Summary: A library for computing integrals that arise in Kutzelnigg’s linear R12 theories
- Architecture: i686
- Size: 8325744
- Distribution: Fedora Project
- Vendor: Fedora Project
- Packager: Fedora Project
Description:
libr12 computes types integrals that appear in Kutzelnigg’s linear R12 theories
for electronic structure. All linear R12 methods, such as MP2-R12, contain
terms in the wave function that are linear in the inter-electronic distances
r_{ij} (hence the name). Appearance of several types of two-body integrals is
due to the use of the approximate resolution of the identity to reduce three-
and four-body integrals to products of simpler integrals.
- OptFlags: -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector --param=ssp-buffer-size=4 -m32 -march=i686 -mtune=atom -fasynchronous-unwind-tables
- Cookie:
- Buildhost: x86-15.phx2.fedoraproject.org
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