[ Source: molds ]
Package: molds (0.3.1-1 and others)
Links for molds
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Download Source Package molds:
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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 | Version | Package Size | Installed Size | Files |
---|---|---|---|---|
amd64 | 0.3.1-1+b11 | 387.5 kB | 1,395.0 kB | [list of files] |
arm64 | 0.3.1-1+b11 | 329.8 kB | 1,263.0 kB | [list of files] |
armhf | 0.3.1-1+b11 | 308.9 kB | 918.0 kB | [list of files] |
i386 | 0.3.1-1+b11 | 385.9 kB | 1,445.0 kB | [list of files] |
mips64el | 0.3.1-1+b6 | 344.2 kB | 1,767.0 kB | [list of files] |
ppc64 (unofficial port) | 0.3.1-1+b11 | 377.7 kB | 1,651.0 kB | [list of files] |
ppc64el | 0.3.1-1+b10 | 379.5 kB | 1,519.0 kB | [list of files] |
riscv64 | 0.3.1-1+b2 | 375.8 kB | 1,107.0 kB | [list of files] |
s390x | 0.3.1-1+b6 | 373.8 kB | 1,383.0 kB | [list of files] |
sparc64 (unofficial port) | 0.3.1-1+b6 | 304.8 kB | 2,104.0 kB | [list of files] |