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Lammps bonds #457

Merged
merged 8 commits into from Jan 22, 2020
Merged

Lammps bonds #457

merged 8 commits into from Jan 22, 2020

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sudarsan-surendralal
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More functions to enable robust functionality

@coveralls
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coveralls commented Nov 25, 2019

Pull Request Test Coverage Report for Build 3413

  • 4 of 6 (66.67%) changed or added relevant lines in 1 file are covered.
  • No unchanged relevant lines lost coverage.
  • Overall coverage increased (+0.02%) to 57.972%

Changes Missing Coverage Covered Lines Changed/Added Lines %
pyiron/lammps/structure.py 4 6 66.67%
Totals Coverage Status
Change from base Build 3411: 0.02%
Covered Lines: 10977
Relevant Lines: 18935

💛 - Coveralls

+ " \n"
+ "{0} bond types".format(num_bond_types)
+ " \n"
+ "{0} angle types".format(num_angle_types)
+ " \n"
)

# atomtypes = list()
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If it is commented out, do we need it?

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No we don't. Fixed it here 51714a0

@jan-janssen
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Is there any way we can test this functionality?

# Conflicts:
#	pyiron/lammps/structure.py
@sudarsan-surendralal
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Shall I merge this @jan-janssen?

@jan-janssen
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You can merge it, but still it would be nice to have tests for this.

@sudarsan-surendralal sudarsan-surendralal merged commit c102d5f into master Jan 22, 2020
@jan-janssen jan-janssen deleted the lammps_bonds branch January 22, 2020 14:51
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3 participants