shirtsgroup / InterMol / 82

Builds Branch Commit Type Ran Committer Via Coverage
82 develop Fix LAMMPS URL Pull #169 ctk3b travis-ci pending completion   set done
81 travis-containers Fix LAMMPS URL push ctk3b travis-ci pending completion   set done
72 develop Added TorsionTorsionCMAP to the forces __init__.py file. Pull #165 mrshirts travis-ci pending completion   set done
71 develop Removed typo (angle.forces -> angle_forces) Pull #165 mrshirts travis-ci pending completion   set done
70 develop Fix for lammps unit tests When running test_lammps -t unit, only one lammps input file gets passed at a time, hence args['lmp_in'] only pulls the first character in this file. Pull #165 mrshirts travis-ci pending completion   set done
69 develop Increase box size of tests push ctk3b travis-ci pending completion   set done
68 develop Increased box size of gromacs unit tests. LAMMPS writer working for most unit tests. push ctk3b travis-ci pending completion   set done
67 develop Lammps almost fully working Changed gromacs to use cut-off electrostatics with r=1.999999 push ctk3b travis-ci pending completion   set done
66 develop G->G working Merged in cleaned up dihedral conventions from forcetype branch. push ctk3b travis-ci pending completion   set done
65 develop Add UBNoHarm to init and minor touch ups push ctk3b travis-ci pending completion   set done
60 feature/desmond More pythonification Fixed some bugs so previous calls would write. Additional streamlining to eliminated duplicated code. push Michael Shirts travis-ci pending completion   set done
59 feature/desmond More pythonification removing site and shared lists for explicit list statements, removing references to variables that were not needed as much as possible. push Michael Shirts travis-ci pending completion   set done
58 feature/desmond Additional pythonification. push Michael Shirts travis-ci pending completion   set done
57 feature/desmond More pythonic cleaning. push Michael Shirts travis-ci pending completion   set done
56 feature/desmond Cleaning up reading desmond_parser to make it more pythonic. push Michael Shirts travis-ci pending completion   set done