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:
Marcus D. Hanwell cryos
cryos
/ keybase.md
Created
July 29, 2020 11:07
cryos
/ tomviz-conda.yml
Created
February 18, 2020 14:51
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| name: tomviz | |
| channels: | |
| - conda-forge | |
| dependencies: | |
| - tomopy | |
| - h5py | |
| - itk | |
| - numpy | |
| - scipy | |
| - click |
cryos
/ tomo_recon_fxi.py
Created
February 18, 2020 14:38
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| 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
/ tomviz-conda.txt
Created
January 10, 2020 15:02
Commands to create the Tomviz pipeline environment
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| conda env create -f tomviz-conda.yml | |
| conda activate tomviz | |
| pip install --no-deps git+https://github.com/OpenChemistry/tomviz.git#subdirectory=tomviz/python |
cryos
/ tomviz-conda.yml
Created
January 10, 2020 14:51
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| name: tomviz | |
| channels: | |
| - conda-forge | |
| dependencies: | |
| - tomopy | |
| - h5py | |
| - itk | |
| - numpy | |
| - scipy | |
| - click |
cryos
/ quantumespresso.cube
Created
June 18, 2019 17:43
A Gaussian Cube file produced by Quantum Espresso
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| 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 |
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| # 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: |
cryos
/ hg-git-gpush
Created
May 28, 2009 03:49
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| 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 |