AKEngels / CAST
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LAST BUILD BRANCH: entropy_moveFastAndBreakStuff
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LAST BUILD ON BRANCH orca
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S0S-90 
TUTORIAL: check if all simulations are okay in 2D umbrella when only some points are sampled

2252 of 23490 relevant lines covered (9.59%)

122.52 hits per line

Relevant lines Covered
23490 RELEVANT LINES 2252 COVERED LINES
122.52 HITS PER LINE
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Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
229 orca TUTORIAL: check if all simulations are okay in 2D umbrella when only some points are sampled push S0S-90 travis-ci-com pending completion  
227 orca add NoSym in gaussian inputfile for QM/MM calculations regardless of external charges push S0S-90 travis-ci-com pending completion  
224 orca put correct orca path in inputfile push S0S-90 travis-ci-com pending completion  
216 orca add stuff to manual and hopefully fix warning push S0S-90 travis-ci-com pending completion  
215 orca add stuff for implicit solvent to gaussian interface push S0S-90 travis-ci-com pending completion  
214 orca make it possible to deactivate parallel orca, add new CAST inputfile and update manual push S0S-90 travis-ci-com pending completion  
213 orca add some options for casscf and cpcm to orca interface push S0S-90 travis-ci-com pending completion  
212 orca add option of parallel computing to orca interface push S0S-90 travis-ci-com pending completion  
210 orca add todonotes for manual push S0S-90 travis-ci-com pending completion  
199 orca add orca option to manual push S0S-90 travis-ci-com pending completion  
See All Builds (849)