arvk / EZFF
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arvk 
Made error/variable output more readable as a CSV file

132 of 1712 relevant lines covered (7.71%)

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Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
60 0521 Made error/variable output more readable as a CSV file push arvk travis-ci pending completion  
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  
54 lammps Revised tests. QChem read_structure now asserts based in vector distance between 2 atoms, not abosolute position of a single atom. QChem read_structure now translates a snapshot to put all atomis within the box, which causes the previous test cond... 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  
44 v0.9.4 Release 0.9.4 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  
See All Builds (40)