Issues · materials-modeling / hiphive · GitLab

MD tutorial script fails randomly

#456 · opened Jan 06, 2020 by Paul Erhart 1.0 Bug Tests To Do
- CLOSED
- 1
- 1
updated Jan 08, 2020
Write force constants in GPUMD format

#433 · opened Oct 04, 2019 by Erik Fransson 1.0 Feature Interface To Do
- CLOSED
- 1
- 8
updated Feb 29, 2020
hiphive not compatible with latest ASE version (3.18)

#394 · opened May 21, 2019 by Erik Fransson 0.6 9 Bug To Do
- CLOSED
- 1
- 45
updated Sep 18, 2019
Make SC.add_structure crash if structure being added is faulty

#374 · opened Mar 16, 2019 by Erik Fransson 0.5 Interface To Do
- CLOSED
- 0
updated Mar 27, 2019
Fix broken tutorials

#331 · opened Dec 18, 2018 by Fredrik Eriksson 0.3 Bug To Do
- CLOSED
- 1
updated Dec 18, 2018
Fix info in integration test for structure_generation.py (follow-up from !133) 0 of 1 task completed

#313 · opened Nov 15, 2018 by Paul Erhart 0.4 Tests To Do
- CLOSED
- 0
updated Dec 05, 2018
Rename cluster_filter.py to cutoffs.py

#309 · opened Nov 10, 2018 by Erik Fransson 0.4 Code Structure To Do
- CLOSED
- 3
updated Dec 05, 2018
Resolve unfortunate naming (atoms_equal)

#308 · opened Nov 04, 2018 by Paul Erhart 0.4 Code Structure Interface To Do
- CLOSED
- 1
- 1
- 5
updated Dec 07, 2018
Add dofs as a function of order to logging

#302 · opened Oct 24, 2018 by Erik Fransson 0.5 Feature To Do
- CLOSED
- 1
- 2
updated Feb 22, 2019
Redefine interface to get_wrapped_displacements

#299 · opened Oct 19, 2018 by Erik Fransson 0.4 Interface To Do
- CLOSED
- 1
- 0
updated Dec 05, 2018
Allow additional properties for structures in StructureContainer

#249 · opened May 29, 2018 by Paul Erhart 0.4 Interface To Do 1h
- CLOSED
- 1
- 12
updated Oct 04, 2018
Unit test for numba powered calculator

#228 · opened May 10, 2018 by Paul Erhart 0.4 Tests To Do
- CLOSED
- 1
- 3
updated Dec 18, 2018
Make good `__repr__` functions 5 of 6 tasks completed

#204 · opened Apr 04, 2018 by Erik Fransson Interface To Do
- CLOSED
- 1
- 0
updated Apr 12, 2018
Make CrossValidationEstimator more intuitive

#166 · opened Jan 30, 2018 by Erik Fransson Interface To Do
- CLOSED
- 0
updated Jan 31, 2018
Advanced tutorial on comparison of FCs with phonopy/phono3py 4 of 5 tasks completed

#159 · opened Jan 23, 2018 by Paul Erhart Finish the user-guide and tutorials Documentation To Do
- CLOSED
- 12
updated Feb 12, 2018
Discussion about user-guide 0 of 1 task completed

#156 · opened Jan 22, 2018 by Erik Fransson Finish the user-guide and tutorials Documentation To Do
- CLOSED
- 17
updated Feb 12, 2018
ValueError when building ClusterSpace for BCC vacancy structure

#120 · opened Dec 04, 2017 by Erik Fransson Sprint 1 9 Bug To Do Urgent
- CLOSED
- 5
updated Dec 21, 2017
DOC/Tutorial : Update Tutorial and documentation 1 of 7 tasks completed

#86 · opened Nov 03, 2017 by Erik Fransson Documentation To Do
- CLOSED
- 23
updated Jan 16, 2018