Ubuntu
molds package

molds 0.3.1-1build1 source package in Ubuntu

Changelog

molds (0.3.1-1build1) wily; urgency=medium

  * No-change rebuild using boost 1.58.

 -- Matthias Klose <email address hidden>  Fri, 28 Aug 2015 12:54:18 +0000

Upload details

Uploaded by:
Matthias Klose
Uploaded to:
Wily
Original maintainer:
Debichem Team
Architectures:
any
Section:
misc
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section

Downloads

File Size SHA-256 Checksum
molds_0.3.1.orig.tar.gz 1.0 MiB 2ba0311ad2258bfaba8a7c5706ab240a243a82f243f0da7085f7cad678bc772e
molds_0.3.1-1build1.debian.tar.xz 4.9 KiB 0ba8a7a0fb4cbf8d80a4bfc0e93f0d7039e692c5b8aa8bb2a5c9f65accf00a9a
molds_0.3.1-1build1.dsc 2.0 KiB 7f9622ea44429335715d8e3f1a7214a5e737afa530a918360551c4ed70099cef

View changes file

Binary packages built by this source

molds: No summary available for molds in ubuntu wily.

No description available for molds in ubuntu wily.

molds-dbgsym: debug symbols for package molds

 MolDS is a semi-empirical electronic structure and molecular dynamics
 package.
 .
 Features includes:
 .
  * Semi-Empirical methods CNDO2, INDO, ZINDO/S, MNDO, AM1 and PM3
  * Excited States via Single Configuration Interaction (CIS)
  * Dispersion corrections to AM1 (AM1-D) and PM3 (PM3-D)
  * Pairwise Distance Directed Gaussian (PDDG) correction to PM3
    (PM3/PDDG)
  * Single-Point, geometry optimization, Molecular Dynamics (MD),
    Monte-Carlo (MC) and Polymer Molecular Dynamics (RPMD) type of
    calculations
 .
 MolDS currently ships parameters for the elements H, C, N, O, and S.