Atomate


Topic Replies Activity
Changing Default VASP Settings in Adsorption Workflows 3 December 14, 2018
Parsing more information from "calcs_reversed" to output in task 2 December 7, 2018
Improving Double Relaxation Run? 4 November 29, 2018
timing to reset the lpad 5 November 21, 2018
Error running wf_piezoelectric_constant due to changes in Pymatgen 7 November 21, 2018
Question about Builder 3 November 19, 2018
Exporting elastic data from MongoDB to .json 4 November 14, 2018
How to add tags to uploaded vasp results in database 9 November 7, 2018
Question about tasks_materials_settings.yaml 4 November 5, 2018
Error running MgO tutorial for atomate 6 November 2, 2018
SQS or Cluster Expansion Workflows 5 September 28, 2018
A probelm in atomate test workflow 3 August 27, 2018
Best way to restart a lost VASP relaxation run 6 August 23, 2018
how to just run vasp indistributed server-worker model and run atomate at local 2 August 20, 2018
Static calculation with SCAN? 4 August 20, 2018
Run workflow from PC to server ? 7 August 12, 2018
import get_wf_adsorption 2 July 24, 2018
Interpretation of decomposition amounts 3 June 15, 2018
Running example workflow using LAMMPS 4 June 12, 2018
Fine-grained handler control using use_custodian 3 May 11, 2018
Keyerror vasp_std 1 May 6, 2018
Some questions about how to share files with multi accounts 4 April 30, 2018
How to run atomate in offline Mode? 12 April 11, 2018
OSError: [Errno 2] No such file or directory 2 February 11, 2018
problem installing on Stampede2 2 January 20, 2018
Debugging a Firework that defuses children 3 October 13, 2017
PyCDT and Atomate 4 October 6, 2017
Gibbs workflow error 2 September 11, 2017
SKIP: Cannot connect to MongoDB 14 August 23, 2017
Python3 compatibility with VASP on stampede2 6 August 17, 2017