arvk / EZFF
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vasp.read_atomic_structure reads directories

132 of 1705 relevant lines covered (7.74%)

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Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
59 master vasp.read_atomic_structure reads directories push arvk travis-ci pending completion  
58 master Added generate_forcefield method for GULP push arvk travis-ci pending completion  
57 master Merged LAMMPS interface into master push arvk travis-ci pending completion  
45 master Bond order threshold is explicitly defined for each ReaxFF forcefield. This will avoid any NaN-ing during MD push arvk travis-ci pending completion  
43 master Release 0.9.4 push arvk travis-ci pending completion  
42 master Documentation explaining the rxff-charge-serial example push arvk travis-ci pending completion  
41 master Forcefields written out at each epoch are now one-indexed push arvk travis-ci pending completion  
40 master Added example for charge optimization push arvk travis-ci pending completion  
39 master QChem and GULP structures are uniformly initialized with zero lattice constants push arvk travis-ci pending completion  
38 master Replaced single keyword with gradient. Replaced QEq with EEM for ReaxFF. Modified read_atomic_charges routine to read ReaxFF charges. push arvk travis-ci pending completion  
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