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Marcus D. Hanwell cryos

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Keybase proof

I hereby claim:

  • I am cryos on github.
  • I am mhanwell (https://keybase.io/mhanwell) on keybase.
  • I have a public key ASCXBzcWRuFhXI6Mij6_80OVmXVCKucEvrIAa13sOCIocQo

To claim this, I am signing this object:

name: tomviz
channels:
- conda-forge
dependencies:
- tomopy
- h5py
- itk
- numpy
- scipy
- click
try:
import numpy as np
import tomopy
import h5py
import matplotlib.pylab as plt
except ImportError:
pass
def find_nearest(data, value):
data = np.array(data)
@cryos
cryos / tomviz-conda.txt
Created January 10, 2020 15:02
Commands to create the Tomviz pipeline environment
conda env create -f tomviz-conda.yml
conda activate tomviz
pip install --no-deps git+https://github.com/OpenChemistry/tomviz.git#subdirectory=tomviz/python
name: tomviz
channels:
- conda-forge
dependencies:
- tomopy
- h5py
- itk
- numpy
- scipy
- click
@cryos
cryos / quantumespresso.cube
Created June 18, 2019 17:43
A Gaussian Cube file produced by Quantum Espresso
64 64 64 64 64 64 8 2
1 10.26121290 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
933.4814769753 10.0000000000 35.0000000000 0
1 Si 4.00
2 C 4.00
1 0.000000000 0.000000000 0.000000000 1
2 0.000000000 0.500000000 0.500000000 2
3 0.500000000 0.500000000 0.000000000 1
4 0.500000000 0.000000000 0.500000000 1
@cryos
cryos / avogadrostandalone.py
Created July 28, 2012 17:50
Using Avogadro from Python
# Developed by Tim Vandermeersch, with a blog post at
# http://timvdm.blogspot.com/2009/05/using-avogadro-library-from-python.html
#
#import openbabel
# needed for OB formats on linux (can be omitted by importing openbabel first)
import sys
if sys.platform.find('linux') != -1:
try:
import dl
except ImportError:
marcus@cryos ~/src/eigen2 $ hg gpush
pushing to : origin
importing Hg objects into Git
at: 0/1188
at: 100/1188
at: 200/1188
at: 300/1188
at: 400/1188
at: 500/1188
at: 600/1188