Commit eadb9c4c authored by Francisco Javier Dominguez Gutierrez's avatar Francisco Javier Dominguez Gutierrez
Browse files

Update pca.py

parent af5a1399
#####################################################################################################
## Copyright (C) 2019 Udo von Toussaint, F. J. Dominguez-Gutierrez, Markus Rampp, Michele Compostella
##
## This program is free software; you can redistribute it and/or modify
## it under the terms of the GNU General Public License as published by
## the Free Software Foundation; either version 2, or (at your option)
## any later version.
##
## This program is distributed in the hope that it will be useful,
## but WITHOUT ANY WARRANTY; without even the implied warranty of
## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
## GNU General Public License for more details.
##
## You should have received a copy of the GNU General Public License
## along with this program; if not, write to the Free Software
## Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA
## 02110-1301, USA.
##
#####################################################################################################
##
## General Notes:
## FaVa: Fingerprint And VisuAlization. Version: 1.0
## This software provides a workflow for fingerprinting and visualizing defects in damaged crystal
## structures. The theoretical background is presented in: paper_ID
##
#####################################################################################################
## Warning:
## This is python script to apply the principal component analysis
## to the descriptor vectors of unclassified atoms.
## It has to be done for a particular system, if it is needed.
##
######################################################################################################
import numpy as np
from pylab import *
from numpy import *
......
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