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 | 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
- diff from 0.3.1-1build6 to 0.3.1-1build7 (306 bytes)
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