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Three fixes #244

Merged
merged 1 commit into from
Aug 22, 2015
Merged

Three fixes #244

merged 1 commit into from
Aug 22, 2015

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mrshirts
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  1. Fixed handling of Gromacs proper dihedrals that had zero energies
  2. Fixed consecutive numbering of lammps files with multiple molecules.
  3. Increased the precision of output for the LJ/Coul multiplicative factor.

Three fixes:
29da043 
1. Fixed handling of Gromacs proper dihedrals that had zero energies

2. Fixed consecutive numbering of lammps files with multiple molecules.

3. Increased the precision of output for the LJ/Coul multiplicative factor.
@ctk3b
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ctk3b commented Aug 22, 2015

I'll have more time to test on Monday but the changes look good so feel free to merge if things are working on your end.

mrshirts added a commit that referenced this pull request Aug 22, 2015
@mrshirts
Merge pull request #244 from mrshirts/develop
29cedec 
Three fixes
@mrshirts mrshirts merged commit 29cedec into shirtsgroup:develop Aug 22, 2015
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tests look the same, so merging.

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@mrshirts @ctk3b