libint2 2.7.2-1 source package in Ubuntu
Changelog
libint2 (2.7.2-1) unstable; urgency=medium * New upstream point release. * debian/patches/fix_testsuite_32bit.patch: Refreshed. * debian/patches/fix_generated_source_soversion.patch: Likewise. * debian/watch: Updated. -- Michael Banck <email address hidden> Sun, 30 Oct 2022 16:21:54 +0100
Upload details
- Uploaded by:
- Debichem Team
- Uploaded to:
- Sid
- Original maintainer:
- Debichem Team
- Architectures:
- any
- Section:
- misc
- Urgency:
- Medium Urgency
See full publishing history Publishing
| Series | Published | Component | Section | |
|---|---|---|---|---|
| Mantic | release | universe | misc | |
| Lunar | release | universe | misc |
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| libint2_2.7.2-1.dsc | 2.0 KiB | 0f94824b561065638fd39ee8d5536ff719255133e2b9f25965c6dd66d3c75672 |
| libint2_2.7.2.orig.tar.gz | 23.6 MiB | fd0466ce9eb6786b8c5bbe3d510e387ed44b198a163264dfd7e60b337e295fd9 |
| libint2_2.7.2-1.debian.tar.xz | 200.0 KiB | d507167ce22d48aa2ab555a0441283ee564d50fd95675d0a863f98b144e3da26 |
Available diffs
- diff from 2.7.1-2 to 2.7.2-1 (30.7 KiB)
No changes file available.
Binary packages built by this source
- libint2-2: No summary available for libint2-2 in ubuntu noble.
No description available for libint2-2 in ubuntu noble.
- libint2-2-dbgsym: debug symbols for libint2-2
- libint2-dev: Computation Chemistry Integral Evaluation Library (development files)
The Libint2 library is used to evaluate the traditional (electron
repulsion) and certain novel two-body matrix elements (integrals) over
Cartesian Gaussian functions used in modern atomic and molecular
theory. The idea of the library is to let computer write optimized
code for computing such integrals. There are two primary advantages to
this: much less human effort is required to write code for computing
new integrals, and code can be optimized specifically for a particular
computer architecture (e.g., vector processor).
.
Libint2 has been utilized to implement methods such as Hartree-Fock
(HF) and Kohn-Sham density functional theory (KS DFT), second-order
Moeller-Plesset perturbation theory (MP2), coupled cluster singles and
doubles (CCSD) method, as well as explicitly correlated R12 methods.
.
This package contains the static library and header files.
