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Old enviromental variables
Enhancement
Expansion of a pre-existing feature.
#182
opened Nov 30, 2019 by
dgasmith
Generate Expansion of a pre-existing feature.
basis
if not specified in OpenMMHarness
Enhancement
#192
opened Dec 8, 2019 by
dotsdl
Complex, ordered multi-command input for Molpro
Feature
Add a new feature to the project
Question
Further information is requested
#198
opened Dec 11, 2019 by
mattwelborn
Add an example of using output from one program as input to another
#222
opened Jan 23, 2020 by
mattwelborn
Standard QC test suite
Computation
Issues related to single program execution
Good First Issue
Good for newcomers
#2
opened Aug 18, 2018 by
dgasmith
GCP .get_version() method raises exception when running
qcengine info
#293
opened Mar 10, 2021 by
coltonbh
Return some information from geometry optimizations that do not converge
#334
opened Dec 10, 2021 by
WardLT
Separate preprocessing, MPI invocation, and post-processing for codes which use MPI tasks
Documentation
Unclear, incorrect, or nonexistent documentation
#336
opened Dec 20, 2021 by
WardLT
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