Metadata-Version: 2.1
Name: xjam
Version: 1.0
Summary: Generate stacking layers via the Joining and Arrangement of Multilayers (JAM) notation
Home-page: https://github.com/Theochem-merida/xjam
Author: Jessica Arcudia, Filiberto Ortiz-Chi, Alan Aspuru-Guzik, and Gabriel Merino
Author-email: fortiz666@gmail.com
License: None
Classifier: Programming Language :: Python :: 3
Classifier: Operating System :: OS Independent
Requires-Python: >=3.5
Description-Content-Type: text/markdown
Requires-Dist: numpy

This program identifies and generates stacking sequences of high-symmetric honeycomb lattice layered materials via the Joining and Arrangement of Multilayers (JAM) notation by mapping a string of characters to the structure of a polytype using only its chemical symbols.


Installing JAM
===============

You can install and uninstall with:

```
# install
pip3 install xjam

# invoque as:
x.jam

# uninstall
pip3 uninstall xjam
```

or

```
# install
git clone https://github.com/fortizchi/xjam
cd xjam
python3 setup.py install --record files.txt

# invoque as:
x.jam

# uninstall
xargs rm -rf < files.txt
```

The JAM.inp file
===============

The user must create a JAM.inp file to control the options when running the JAM algorithm.
The JAM.inp file includes the following variables:

```
-option: INT, type of material (PL, BPL, BU, BBU)
-num_layers: INT, number of layers to stack
-atom_list: CHAR, list of the chemical symbols of the elements in the material
-latticep: FLOAT, the lattice constant used to scale all lattice vectors
-z_vacuum: FLOAT, the vacuum space
-buckling: FLOAT, the distortion out of the plane
-distance: FLOAT, the interlayer distance
```

Running JAM
===============

```
x.jam
```
