molds binary package in Ubuntu Bionic ppc64el

 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.

Publishing history

Date Status Target Pocket Component Section Priority Phased updates Version
  2017-10-31 12:39:35 UTC Published Ubuntu Bionic ppc64el release universe science Optional 0.3.1-1build8
  • Published
  • Copied from ubuntu bionic-proposed ppc64el in Primary Archive for Ubuntu
  Deleted Ubuntu Bionic ppc64el proposed universe science Optional 0.3.1-1build8
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to release

  • Published
  2017-10-31 13:03:20 UTC Superseded Ubuntu Bionic ppc64el release universe science Optional 0.3.1-1build7
  • Removed from disk .
  • Removal requested .
  • Superseded by ppc64el build of molds 0.3.1-1build8 in ubuntu bionic PROPOSED
  • Published
  • Copied from ubuntu zesty-proposed ppc64el in Primary Archive for Ubuntu

Source package