Assets 2
Fixes to defect formation energy tool for compatibility with pymatgen 4.7.1
Pin pymatgen version in setup.py to 4.7.1
Move documentation to mast.readthedocs.io

@rjacobs914 rjacobs914 released this Apr 13, 2017 · 26 commits to dev since this release

Assets 3

Additions:
None.

Fixes:
MAST is now compatible with pymatgen 4.X.X
Major fixes have been made to atom indexing.

Changes for users:
StructOpt packaged with MAST is now deprecated. Please see the code base maintained at StructOpt_modular and/or contact its developers for assistance.
Users with old workflows combining StructOpt and MAST should use version 1.3.4.

Changes for programmers:
None.

@rjacobs914 rjacobs914 released this Feb 1, 2017 · 111 commits to dev since this release

Assets 4

Changes from version 1.3.3:

  • Fixes in atom indexing
  • NEB pathfinder integration

@cmgtam cmgtam released this Feb 11, 2016 · 176 commits to dev since this release

Assets 2

Fixes stemming from MAST-pymatgen integration (set zero velocities so that pymatgen handles defected cells).
Rolled back changes to StructOpt: STEM and non-STEM versions are separate. Also includes bugfixes to MAST-StructOpt integration.
Indentation fixes in DiffusionCoefficient.py.
New whole-workflow test folder.

Jul 9, 2015
Update doc

@cmgtam cmgtam released this Jul 9, 2015 · 305 commits to dev since this release

Assets 2

STEM addition to structopt
full charged defects with finite-size scaling workflow
14-frequency model for diffusion coefficient calculation
atom indexing
single log file at mast.log

Assets 2

This version incorporates structopt changes from Hyunseok (VASP) and Min (STEM analysis).
This version does not include defect/finite size scaling changes or atom indexing changes.
Use this version as a stable intermediate if defect/finite size scaling and atom indexing are not important.

Assets 2

New code merged from Hyunseok, Min, Zhewen, and Tam.

No testing has been performed on this merged version, and no additional issues have been fixed.

Pre-release alpha of MAST version 1.3.0

@cmgtam cmgtam released this Sep 29, 2014 · 528 commits to dev since this release

Assets 2

gbdiff, diffanalyzer, citations, and unit tests should now all be working correctly.

@cmgtam cmgtam released this Sep 23, 2014 · 545 commits to dev since this release

Assets 2
MAST-v1.2.6

Fix minor typo