Search results

replace commands module in jasp/jasp_extensions.py

Status: Open.

#54 In jkitchin/jasp;

· jkitchin opened on Apr 8, 2016

Spin Polarized charge densities

Status: Open.

#46 In jkitchin/jasp;

· prtkm opened on Apr 28, 2015

running jasp locally but submitting calculation to cluster

Status: Open.

#16 In jkitchin/jasp;

· alexanderhupfer opened on Sep 3, 2013

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

bug

Status: Open.

#14 In jkitchin/jasp;

· 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.

Status: Open.

#11 In jkitchin/jasp;

· jkitchin opened on Oct 29, 2012

standardize atoms sorting order.

Status: Open.

#7 In jkitchin/jasp;

· jkitchin opened on Oct 13, 2012

heuristics for parameter recommendations

enhancement

Status: Open.

#5 In jkitchin/jasp;

· jkitchin opened on Oct 9, 2012

EOS with confidence intervals

enhancement

Status: Open.

#2 In jkitchin/jasp;

· jkitchin opened on Sep 24, 2012

create a cache mechanism

enhancement

Status: Open.

#1 In jkitchin/jasp;

· jkitchin opened on Sep 24, 2012