https://github.com/galmetzer/dipole-normal-prop
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Tip revision: 0887b893b153f4ce6b09e4dd485f9b042f15b706 authored by Gal Metzer on 08 September 2021, 21:53:11 UTC
Update README.md
Tip revision: 0887b89
reference_orientation.sh
#!/bin/bash

export BASE_PATH=$(cd ../; pwd)
echo $BASE_PATH
export PYTHONPATH=$BASE_PATH

python -u $BASE_PATH/reference_orientation.py \
--input $BASE_PATH/data/interpolate/consolidated.xyz \
--output $BASE_PATH/data/interpolate/result.xyz \
--reference $BASE_PATH/data/interpolate/reference.xyz
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