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36 Open 36 Closed
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Issues list

mcfgen.py does not throw error if no charges are listed Type: Bug
#52 opened Apr 20, 2020 by rsdefever
@rsdefever
Add description of i-a convention to cell matrix documentation Type: Documentation
#35 opened Mar 12, 2020 by rsdefever
@rsdefever
1
Move fragment library setup into Cassandra executable Type: Enhancement
#23 opened Nov 22, 2019 by rsdefever
@rsdefever
Addressing incorrect bond lengths in ring fragments Type: New feature
#22 opened Nov 22, 2019 by rsdefever
@rsdefever
Overload store_pair_energy array function using the INTERFACE block
#16 opened Jul 12, 2019 by emarinri
Improvement on custom mixing rules Energy evaluation Type: Enhancement
#12 opened Feb 19, 2019 by emarinri
Create 'How to contribute' documentation Type: Documentation
#11 opened Feb 14, 2019 by emarinri
@JJGerace @emarinri
1
Fix factor of 100 in the test suite results Type: Tests
#10 opened Feb 14, 2019 by emarinri
@JJGerace
2
Duplication of fragments in libgen.py Utilities
#9 opened Feb 9, 2019 by emarinri
Correct computation of errors in plot.py Utilities
#7 opened Feb 8, 2019 by emarinri
@emarinri
Mixing_Rule custom option usability Energy evaluation
#5 opened Dec 7, 2018 by emarinri
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