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[ Source: molds ]
Package: molds (0.3.1-1build8)
Links for molds
Trisquel Resources:
Download Source Package molds:
Maintainer:
Original Maintainers:
- Debichem Team (Mail Archive)
- Michael Banck
External Resources:
- Homepage [en.sourceforge.jp]
Similar packages:
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.
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Download molds
| Architecture | Package Size | Installed Size | Files |
|---|---|---|---|
| amd64 | 379.1 kB | 1473 kB | [list of files] |
| i386 | 384.4 kB | 1500 kB | [list of files] |