/jchemistry

Java library for chemistry and crystallography information

Primary LanguageJavaGNU Lesser General Public License v3.0LGPL-3.0

jchemistry

jchemistry is a Java library for chemistry and crystallography information.

This project is not maintained. This repository is only for archiving.

Features

Core

  • Enum containing all elements from periodic table
  • Physical, atomic and miscellaneous properties of the elements: atomic radius, boiling temperature, density, thermal conductivity, etc.
  • Enum of all 230 space groups
  • Class for atom positions, unit cell and reflectors
  • Crystallography calculations: plane spacing, diffraction angle, bond angle, bond distance, etc.
  • Scattering factors for electrons and x-rays
  • Reader and writer of Crystallographic Information File (cif)

GUI (swing)

  • Dialog with a full periodic table
  • Field to select element
  • Dialog to create, edit and view crystallographic phase information