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Commits

Commits on Jun 3, 2016

note that jasp is deprecated
John Kitchin
committed
restore xc input for jasp
John Kitchin
committed

Commits on May 5, 2016

add resort in a few places
John Kitchin
committed

Commits on Apr 27, 2016

Merge pull request #58 from jboes/upstream
jkitchin
committed
Fixed indentation error. Simplified jobid check (does not remove old job ID by default). Added directory feedback for all scenarios. Minor pep8 formatting and python 3 compliance changes.
Jacob Boes
committed
Fix to the get required memory function. Efficiency factor changed to 10 percent from 100 percent
Jacob Boes
committed
NEB calculations can be initiated without using the images keyword. Commit adds an additional check for NEB calculations
Jacob Boes
committed

Commits on Apr 26, 2016

fix logic flaw for job killed
John Kitchin
committed
updates
John Kitchin
committed
Merge branch 'master' of github.com:jkitchin/jasp into exc-handler
John Kitchin
committed
fix issue with CONTCAR restart
John Kitchin
committed
update new executables
John Kitchin
committed
Merge pull request #55 from jboes/upstream
jkitchin
committed
New get_property function for integration with ASE database
Jacob Boes
committed

Commits on Apr 22, 2016

add some checking of pbs killing jobs on restart
John Kitchin
committed
some documentation for exc handler.
John Kitchin
committed
add comments
John Kitchin
committed
minor rearrangment.
John Kitchin
committed
exception handling overhaul
John Kitchin
committed
add VaspEmptyCONTCAR
John Kitchin
committed
docstring cleanup andother cleanups
John Kitchin
committed
docstring cleanup
John Kitchin
committed
docstring cleanups
John Kitchin
committed
docstring cleanups
John Kitchin
committed
docstring cleanups
John Kitchin
committed
docstring cleanup
John Kitchin
committed

Commits on Apr 8, 2016

add commands back
jkitchin
committed