ghemical binary package in Ubuntu Bionic armhf
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.
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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**.
Publishing history
Date | Status | Target | Component | Section | Priority | Phased updates | Version | ||
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2017-12-08 02:08:54 UTC | Published | Ubuntu Bionic armhf | release | universe | gnome | Optional | 3.0.0-3 | ||
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Deleted | Ubuntu Bionic armhf | proposed | universe | gnome | Optional | 3.0.0-3 | |||
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2017-12-08 02:09:02 UTC | Superseded | Ubuntu Bionic armhf | release | universe | gnome | Optional | 3.0.0-2 | ||
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