All issues

replace commands module in jasp/jasp_extensions.py

#54

· jkitchin opened

on Apr 8, 2016

Spin Polarized charge densities

#46

· prtkm opened

on Apr 28, 2015

running jasp locally but submitting calculation to cluster

#16

· alexanderhupfer opened

on Sep 3, 2013

jasp.serialize json code does not save constraints, energy, forces, etc...

#14

· jkitchin opened

on Aug 5, 2013

Figure out how to warn user when nsw steps have been taken, and the structure is still not relaxed. Also, how to restart the job from the last point.

#11

· jkitchin opened

on Oct 29, 2012

standardize atoms sorting order.

#7

· jkitchin opened

on Oct 13, 2012

heuristics for parameter recommendations

#5

· jkitchin opened

on Oct 9, 2012

EOS with confidence intervals

#2

· jkitchin opened

on Sep 24, 2012

create a cache mechanism

#1

· jkitchin opened

on Sep 24, 2012