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Description
Expected Behavior
One should be able to launch pcmsolver twice independently. This would be useful, long-term, for psiapi mode.
Current Behavior
self = <pcmsolver.getkw.Section object at 0x7f0116562eb0>, kw = <pcmsolver.getkw.Keyword object at 0x7f01164f34c0>, set = True
def add_kwkw(self, kw, set=False):
if kw.name not in self.kw:
self.kw[kw.name] = kw
else:
print('Error: Keyword "%s.%s" already defined!' % \
(self.name, kw.name))
> sys.exit(1)
E SystemExit: 1
../../../toolchainconda/envs/py38/lib/python3.8/site-packages/pcmsolver/getkw.py:121: SystemExit
--------------------------------------------------------------------------------------------------- Captured stdout call ---------------------------------------------------------------------------------------------------
Error: Keyword "toplevel.UNITS" already defined!
Possible Solution
Steps to Reproduce (for bugs)
Context
@robertodr knows about this issue and has taken a stab at solving it. It'd be useful if anyone wanted to run more than one pcm job from psi4 as a module, but there's no urgency.
Your Environment
- Version used: 1.2.1
- Environment name and version (e.g. PHP 5.4 on nginx 1.9.1):
- Server type and version:
- Operating System and version: RHEL7
- Link to your project:
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