Ubuntu
molds package

molds 0.3.1-1build7 source package in Ubuntu

Changelog

molds (0.3.1-1build7) zesty; urgency=high

  * No change rebuild against boost1.62.

 -- Dimitri John Ledkov <email address hidden>  Tue, 01 Nov 2016 16:31:05 +0000

Upload details

Uploaded by:
Dimitri John Ledkov
Uploaded to:
Zesty
Original maintainer:
Ubuntu Developers
Architectures:
any
Section:
misc
Urgency:
Very Urgent

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_0.3.1-1build7.debian.tar.xz 5.2 KiB 6ee937d305c2fc0e0559439c03be5f1751cdb9e603683e4252f478eaacf5ec8e
molds_0.3.1-1build7.dsc 1.8 KiB 69b2ccb6945303f686985ff23bcd40bb0e03aa6ddd7522b69f756685cede6176

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