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1 parent 90ea59e commit 2fd6c7eCopy full SHA for 2fd6c7e
dpgen/auto_test/common_equi.py
@@ -79,6 +79,9 @@ def make_equi(confs,
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poscar = os.path.abspath(os.path.join(ii, 'POSCAR'))
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if not os.path.exists(poscar):
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raise FileNotFoundError('no configuration for autotest')
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+ if os.path.exists(os.path.join(ii, 'relaxation', 'jr.json')):
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+ os.remove(os.path.join(ii, 'relaxation', 'jr.json'))
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+
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relax_dirs = os.path.abspath(os.path.join(ii, 'relaxation', 'relax_task')) # to be consistent with property in make dispatcher
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create_path(relax_dirs)
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task_dirs.append(relax_dirs)
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