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rmgpy/qm/mopac.py: Wait for 1 sec for the buffer to write to disc.
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Temporary solution to avoid attribute errors from cclib during parsing.
See issue ReactionMechanismGenerator#134
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keceli authored and rwest committed Apr 16, 2020
1 parent 5c4566b commit c4c7de9
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion rmgpy/qm/mopac.py
Original file line number Diff line number Diff line change
Expand Up @@ -139,7 +139,8 @@ def run(self):
stdout, stderr = process.communicate(input=command) # necessary to wait for executable termination!
if b"ended normally" not in stderr.strip():
logging.warning("Mopac error message:" + stderr.decode('utf-8'))

import time
time.sleep(1)
# copy output file from temp dir to output dir:
tempOutFile = os.path.join(dirpath, os.path.basename(self.output_file_path))
shutil.copy(tempOutFile, self.output_file_path)
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