atoms

This is a dataframe including a 2-characters string indicating the atomic
element name and an integer indicating the atomic number Z.

datasets

Functions to carry out the most important crystallographic calculations for crystal
structures made of 1d Gaussian-shaped atoms, especially useful for methods development.
Main reference: E. Smith, G. Evans, J. Foadi (2017) <doi:10.1088/1361-6404/aa8188>.

James Foadi

crone

Structural Crystallography in 1d

atoms function

The dataframe has the following columns:<dl class="dl-horizontal">
 <dt>anames</dt><dd>2-character string indicating the atomic name.</dd>
 <dt>Z</dt><dd>Integer. The atomic number.</dd>
</dl>

Format

Atom names and atomic number — atoms

The dataframe has the following columns:<dl class='dl-horizontal'>
 <dt>anames</dt><dd>2-character string indicating the atomic name.</dd>
 <dt>Z</dt><dd>Integer. The atomic number.</dd>
</dl>

atoms: Atom names and atomic number

Description

Usage

Arguments

Format