libint 1.1.5-2 source package in Ubuntu
Changelog
libint (1.1.5-2) unstable; urgency=medium
* debian/rules (override_dh_auto_configure): Increase libint-max-am to 6,
libderiv-max-am1 to 4 and libderiv-max-am2 to 3.
-- Michael Banck <email address hidden> Thu, 01 Oct 2015 17:52:38 +0200
Upload details
- Uploaded by:
- Debichem Team
- Uploaded to:
- Sid
- Original maintainer:
- Debichem Team
- Architectures:
- any
- Section:
- science
- Urgency:
- Medium Urgency
See full publishing history Publishing
| Series | Published | Component | Section | |
|---|---|---|---|---|
| Xenial | release | universe | science |
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| libint_1.1.5-2.dsc | 2.0 KiB | aeaa8555e69916d3cf5062afbcbfd4bfdd265c6ff86f4ad59d3f9009b91d2050 |
| libint_1.1.5.orig.tar.gz | 367.9 KiB | 31d7dd553c7b1a773863fcddc15ba9358bdcc58f5962c9fcee1cd24f309c4198 |
| libint_1.1.5-2.debian.tar.xz | 4.4 KiB | 8e1d672c5105dc1de6022373a0da7409c53ab727a8ee045308d7c54a70c81d75 |
Available diffs
No changes file available.
Binary packages built by this source
- libint-dbg: Evaluate the integrals in modern atomic and molecular theory (debug)
The LIBINT 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).
.
LIBINT 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 detached debugging symbols.
- libint-dev: Evaluate the integrals in modern atomic and molecular theory (devel)
The LIBINT 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).
.
LIBINT 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 development header files.
- libint-dev-dbgsym: debug symbols for package libint-dev
The LIBINT 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).
.
LIBINT 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 development header files.
- libint1: Evaluate the integrals in modern atomic and molecular theory
The LIBINT 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).
.
LIBINT 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 shared library.
- libint1-dbgsym: debug symbols for package libint1
The LIBINT 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).
.
LIBINT 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 shared library.
