Ubuntu
aces3 package

aces3 3.0.8-6 source package in Ubuntu

Changelog

aces3 (3.0.8-6) unstable; urgency=medium

  * Rebuild against latest openmpi to fix FTBFS on mult. arches
  * Standards-Version: 4.2.1
  * make build more verbose by default
  * Point VCS-* to salsa.d.o, homepage to https version
  * Set aces3-data to Multi-Arch: foreign

 -- Alastair McKinstry <email address hidden>  Tue, 04 Dec 2018 16:21:47 +0000

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

Downloads

File Size SHA-256 Checksum
aces3_3.0.8-6.dsc 2.0 KiB fa10b9601b8f0eec62e16b5ab420bd7f592845cf54e94802facd81ff592555c2
aces3_3.0.8.orig.tar.gz 131.8 MiB 723f647bb78f37cf65fb2dccc7240f3be8ed73250649c374e0c65c01b1c3e57b
aces3_3.0.8-6.debian.tar.xz 45.1 KiB 8dd40e7f321f722fe52324515879d288f903ea6c0d65604499a5a6d7ab32c9c9

No changes file available.

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: No summary available for aces3-data in ubuntu eoan.

No description available for aces3-data in ubuntu eoan.

aces3-dbgsym: No summary available for aces3-dbgsym in ubuntu eoan.

No description available for aces3-dbgsym in ubuntu eoan.