aces3 3.0.8-5.1build4 source package in Ubuntu

Changelog

aces3 (3.0.8-5.1build4) cosmic; urgency=medium

  * No-change rebuild for libgfortran soname change.

 -- Matthias Klose <email address hidden>  Tue, 17 Jul 2018 12:19:46 +0000

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Uploaded by:
Matthias Klose on 2018-07-17
Uploaded to:
Cosmic
Original maintainer:
Ubuntu Developers
Architectures:
any all
Section:
science
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section
Cosmic release on 2018-08-09 universe science

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File Size SHA-256 Checksum
aces3_3.0.8.orig.tar.gz 131.8 MiB 723f647bb78f37cf65fb2dccc7240f3be8ed73250649c374e0c65c01b1c3e57b
aces3_3.0.8-5.1build4.debian.tar.xz 45.2 KiB f2ff1a867b1719b615a1365aab30729c5281d052aa085ac29c0357ee8260ad49
aces3_3.0.8-5.1build4.dsc 2.1 KiB 42ecb534471952df823128f319c641346a4da1707f3a1d1b239c9a84244e904d

Available diffs

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Binary packages built by this source

aces3: Advanced Concepts in Electronic Structure III

 ACESIII is an electronic structure calculation program with a focus on
 correlated methods. It is the parallel successor to ACESII, employing the
 Super Instruction Assembly Language (SIAL) as parallelization framework.
 Features include:
 .
 Energies, analytic gradients and analytic hessians for the following methods:
  * Restricted/unrestricted spin or restricted open-shell Hartree-Fock (HF)
  * Second-order Moeller-Plesset pertubation theory (MP2)
 .
 Energies and analytic gradients for the following methods:
  * Coupled cluster singles and doubles (CCSD)
 .
 Additionally, it can compute energies for the following methods:
  * Coupled cluster singles and doubles with pertubative triples (CCSD(T))
  * Quadratic configuration-interaction singles and doubles (QCISD)
 .
 Excited states can be calculated by the following methods:
  * Qadratic configuration interaction singles and doubles
  * Coupled cluster equation-of-motion (EOM-CC)
 .
 It also includes an internal coordinate geometry optimizer. If analytic
 gradients are not available, numerical gradients via finite differences are
 used.

aces3-data: Advanced Concepts in Electronic Structure III

 ACESIII is an electronic structure calculation program with a focus on
 correlated methods. It is the parallel successor to ACESII, employing the
 Super Instruction Assembly Language (SIAL) as parallelization framework.
 .
 This package contains the documentation, the basis set definitions and the
 architecture-independent compiled SIAL files.

aces3-dbgsym: debug symbols for aces3