Ubuntu
molds package

molds 0.3.1-1build8 source package in Ubuntu

Changelog

molds (0.3.1-1build8) bionic; urgency=medium

  * No-change rebuild for boost soname change.

 -- Matthias Klose <email address hidden>  Thu, 26 Oct 2017 17:20:26 +0000

Upload details

Uploaded by:
Matthias Klose
Uploaded to:
Bionic
Original maintainer:
Ubuntu Developers
Architectures:
any
Section:
misc
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section
Bionic release universe misc

Downloads

File Size SHA-256 Checksum
molds_0.3.1.orig.tar.gz 1.0 MiB 2ba0311ad2258bfaba8a7c5706ab240a243a82f243f0da7085f7cad678bc772e
molds_0.3.1-1build8.debian.tar.xz 5.2 KiB 42f505f1100a34a69dda6a638069ad8568ab064a76fa9e0a1b6dea1bb2047942
molds_0.3.1-1build8.dsc 2.1 KiB ad412be9ac92447dac0e2c2cb3db964718dfe24c854fc55b159e7ada07e3582e

Available diffs

View changes file

Binary packages built by this source

molds: Semi-empirical electronic structure and molecular dynamics

 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.

molds-dbgsym: debug symbols for molds