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fixed _verify_files
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3 files changed

+19
-19
lines changed

3 files changed

+19
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Si2
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1.0
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3.840198 0.000000 0.000000
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1.920099 3.325710 0.000000
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0.000000 -2.217138 3.135509
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3.8401979336999998 0.0000000000000000 0.0000000000000000
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1.9200989667999999 3.3257101909000002 0.0000000000000000
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0.0000000000000000 -2.2171384942999999 3.1355090603000000
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Si
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2
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direct
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0.000000 0.000000 0.000000 Si
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0.750000 0.500000 0.750000 Si
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0.0000000000000000 0.0000000000000000 0.0000000000000000 Si
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0.7500000000000000 0.5000000000000000 0.7500000000000000 Si

atomate/vasp/tests/test_setup.py

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import os
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from turtle import pos
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import unittest
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from pymatgen.core import IStructure, Lattice

requirements.txt

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custodian==2022.5.26
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FireWorks==2.0.3
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maggma==0.44.0
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monty==2021.6.10
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networkx==2.5.1
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numpy
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pandas==1.2.5
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paramiko==2.10.1
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pydash==5.0.0
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pymatgen-analysis-diffusion
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pymatgen
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pymongo
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pyyaml==5.4.1
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ruamel.yaml==0.17.9
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scipy==1.7.2
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tqdm==4.61.1
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maggma==0.48.1
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monty==2022.9.9
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networkx==2.8.6
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numpy==1.23.3
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pandas==1.4.4
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paramiko==2.11.0
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pydash==5.1.0
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pymatgen-analysis-diffusion==2022.7.21
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pymatgen==2022.9.8
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pymongo==4.2.0
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ruamel.yaml==0.17.21
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scipy==1.9.1
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tqdm==4.64.1

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