Ubuntu
mpqc package

mpqc 2.3.1-19 source package in Ubuntu

Changelog

mpqc (2.3.1-19) unstable; urgency=medium

  * Team upload.

  [ Michael Banck ]
  * debian/libsc-dev.install: Install sc-libtool as well, thanks to Hideki
    Yamane (closes: #873719).
  * Fix Vcs-* fields in debian/control after migrating package to Git.

  [ Andreas Tille ]
  * Standards-Version: 4.3.0
  * Drop package mpqc-openmpi
    Closes: #878772
  * Lintian-override for spelling error
  * Fix some permissions
  * Use dh-elpa

 -- Andreas Tille <email address hidden>  Tue, 05 Feb 2019 14:26:32 +0100

Upload details

Uploaded by:
Debichem Team
Uploaded to:
Sid
Original maintainer:
Debichem Team
Architectures:
any all
Section:
science
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section
Focal release universe science

Downloads

File Size SHA-256 Checksum
mpqc_2.3.1-19.dsc 2.2 KiB cd5de94ced564e9ad37527c9c8b37198f5b47dd3e4fe4b752b1e89414658231c
mpqc_2.3.1.orig.tar.gz 3.4 MiB 94df3ed53069db977f97cac9334bed32ac8eaf26ee187a1e89b8a037ce51f5d2
mpqc_2.3.1-19.debian.tar.xz 29.0 KiB 9fefd8f1705a351bc82e36cf5044b4a8d0a728e100c478afb531e8902d293376

No changes file available.

Binary packages built by this source

libsc-data: No summary available for libsc-data in ubuntu disco.

No description available for libsc-data in ubuntu disco.

libsc-dev: No summary available for libsc-dev in ubuntu disco.

No description available for libsc-dev in ubuntu disco.

libsc-dev-dbgsym: No summary available for libsc-dev-dbgsym in ubuntu disco.

No description available for libsc-dev-dbgsym in ubuntu disco.

libsc-doc: No summary available for libsc-doc in ubuntu eoan.

No description available for libsc-doc in ubuntu eoan.

libsc7v5: Scientific Computing Toolkit (library)

 The Scientific Computing toolkit (SC) provides C++ class libraries for
 scientific computation. Included are classes for managing memory, saving and
 restoring the state of objects, reading objects from an input file, parallel
 communication, matrix algebra, among others.
 .
 Class libraries supporting quantum chemistry applications are provided with
 this distribution of SC.
 .
 This package includes the shared libraries.

libsc7v5-dbgsym: No summary available for libsc7v5-dbgsym in ubuntu groovy.

No description available for libsc7v5-dbgsym in ubuntu groovy.

mpqc: Massively Parallel Quantum Chemistry Program

 MPQC is an ab-inito quantum chemistry program. It is especially designed
 to compute molecules in a highly parallelized fashion.
 .
 It can compute energies and gradients for the following methods:
  * Closed shell and general restricted open shell Hartree-Fock (HF)
  * Density Functional Theory (DFT)
  * Closed shell second-order Moeller-Plesset perturbation theory (MP2)
 .
 Additionally, it can compute energies for the following methods:
  * Open shell MP2 and closed shell explicitly correlated MP2 theory (MP2-R12)
  * Second order open shell pertubation theory (OPT2[2])
  * Z-averaged pertubation theory (ZAPT2)
 .
 It also includes an internal coordinate geometry optimizer.
 .
 MPQC is built upon the Scientific Computing Toolkit (SC).

mpqc-dbgsym: debug symbols for mpqc
mpqc-support: Massively Parallel Quantum Chemistry Program (support tools)

 MPQC is an ab-inito quantum chemistry program. It is especially designed
 to compute molecules in a highly parallelized fashion.
 .
 This package includes Perl modules to parse the output, Emacs-modes to
 facilitate editing mpqc files and molrender, a program to output the
 molecules in OOGL-format.

mpqc-support-dbgsym: No summary available for mpqc-support-dbgsym in ubuntu disco.

No description available for mpqc-support-dbgsym in ubuntu disco.