Atomate


Topic Replies Activity
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
VASP executable not found when running Si test workflow 7 August 14, 2017
atomate paper is out: please cite if you are using atomate 1 August 7, 2017
Atomate documentation - new location 1 July 31, 2017
Installing on local machine 3 July 20, 2017
Question regarding add_additional_fields_to_taskdocs, workflow uuids 5 June 23, 2017
atomate with other DFT calculators 5 June 22, 2017
atomate v0.5.0 - kpoint meshes and docs 1 June 9, 2017
Elastic workflow - specify POTCAR and k-point scheme 9 June 7, 2017
Automating convergence testing 3 April 28, 2017
Workflow tests 3 April 3, 2017
A couple of new policies for atomate devs: file sizes and integration tests 1 March 24, 2017