simint 0.7-1
Package Information
| Description | Two-electron integral library (development) Simint is a vectorized implementation of the Obara-Saika (OS) method of calculating electron repulsion integrals. Speedup is gained by vectorizing the primitive loop of the OS algorithm, with additional vectorization and optimizations left to the compiler. Simint is capable of calculating ERI with the angular momentum in any order. That is, it is possible to calculate (ds|ds) and (sd|ds) directly, without permutation of the resulting integrals. This packages contains the static library and header files. |
|---|---|
| Maintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| Changed By | Michael Banck <mbanck@debian.org> |
| Sponsor | mbanck@debian.org |
| Distribution | unstable |
| Architecture | any |
| VCS | git: https://salsa.debian.org/debichem-team/simint.git (browse) |
| Tracker | https://tracker.debian.org/pkg/simint |
| Uploaded | 5 hours ago |
New Package Report
.changes
| Source | simint |
|---|---|
| Version | 0.7-1 |
| Changed-By | Michael Banck |
| Architecture | source amd64 |
| Distribution | unstable |
| Date | Sat, 09 May 2026 23:14:40 +0200 |
Changelog
simint (0.7-1) unstable; urgency=medium . * Initial upload.
.dsc
| Section | libdevel |
|---|---|
| Priority | optional |
| Component | main |
| Package-List | libsimint-dev deb libdevel optional arch=any |
debian/copyright
Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/
Upstream-Name: simint
Source: https://www.bennyp.org/research/simint/
Files: *
Copyright: 2017 Georgia Institute of Technology
2017 Benjamin Pritchard <ben@bennyp.org
License: BSD-3-Clause
License: BSD-3-clause
Redistribution and use in source and binary forms, with or without
modification, are permitted provided that the following conditions
are met:
1. Redistributions of source code must retain the above copyright
notice, this list of conditions and the following disclaimer.
2. Redistributions in binary form must reproduce the above copyright
notice, this list of conditions and the following disclaimer in the
documentation and/or other materials provided with the distribution.
3. Neither the name of the University nor the names of its contributors
may be used to endorse or promote products derived from this software
without specific prior written permission.
.
THIS SOFTWARE IS PROVIDED BY THE REGENTS AND CONTRIBUTORS ``AS IS'' AND
ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
ARE DISCLAIMED. IN NO EVENT SHALL THE REGENTS OR CONTRIBUTORS BE LIABLE
FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS
OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION)
HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT
LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY
OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF
SUCH DAMAGE.