ghemical 3.0.0-3 source package in Ubuntu
Changelog
ghemical (3.0.0-3) unstable; urgency=medium * Team upload. * Moved packaging from SVN to Git * cme fix dpkg-control * DEP5 -- Andreas Tille <email address hidden> Thu, 07 Dec 2017 16:14:00 +0100
Upload details
- Uploaded by:
- Debichem Team
- Uploaded to:
- Sid
- Original maintainer:
- Debichem Team
- Architectures:
- any
- Section:
- gnome
- Urgency:
- Medium Urgency
See full publishing history Publishing
| Series | Published | Component | Section | |
|---|---|---|---|---|
| Bionic | release | universe | gnome |
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| ghemical_3.0.0-3.dsc | 2.1 KiB | e776b060dfa30e31d2895c0d3dbf8c575dbb868c8cdd283610fef35c948c7c35 |
| ghemical_3.0.0.orig.tar.gz | 2.1 MiB | babb2bda93cf0c20f234452eeb7d19d1d8c0e4c4d611734f110f8de066a1bcb2 |
| ghemical_3.0.0-3.debian.tar.xz | 18.8 KiB | 2389039cd570fa1df47044b9b8150ef32a1ad351b183eb2e8eb99c89bb92360c |
Available diffs
- diff from 3.0.0-2 to 3.0.0-3 (1.9 KiB)
No changes file available.
Binary packages built by this source
- ghemical: GNOME molecular modelling environment
Ghemical is a computational chemistry software package written in C++.
It has a graphical user interface and it supports both quantum-
mechanics (semi-empirical) models and molecular mechanics models.
Geometry optimization, molecular dynamics and a large set of
visualization tools using OpenGL are currently available.
.
Ghemical relies on external code to provide the quantum-mechanical
calculations. Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come
from the MOPAC7 package (Public Domain), and are included in the
package. The MPQC package is used to provide ab initio methods: the
methods based on Hartree-Fock theory are currently supported with
basis sets ranging from STO-3G to 6-31G**.
- ghemical-dbgsym: debug symbols for ghemical
