Merge requests · materials-modeling / hiphive · GitLab

Factor for scaling imaginary frequencies in phonon-rattle

!306 · created May 11, 2022 by Erik Fransson
- Closed
- 6
updated May 19, 2023
Small typo in rattle.py error message

!309 · created Jul 22, 2022 by Seán Kavanagh
- Closed
- 2
updated Nov 08, 2022
Draft: Resolve "Adding stablizing terms to the force constant model for MD/MC purposes"

!181 · created Apr 08, 2019 by Fredrik Eriksson 0.5
Doing Feature
- Closed
- 3
updated Apr 11, 2022
Phonon rattle with Bose-Einstein statistics

!251 · created Nov 24, 2020 by Petter Rosander
- Closed
- 5
- 1
- 0 of 2 Approvals
updated Feb 04, 2022
Draft: Resolve "Get forces without calculation in prepare_structures using VASP"

!281 · created Dec 19, 2021 by Erik Fransson
- Closed
updated Dec 19, 2021
WIP: Resolve "Improved calculation of displacements"

!215 · created Jan 08, 2020 by Erik Fransson 1.0
Feature
- Closed
updated Jan 09, 2020
Plot fitting scatter data

!208 · created Nov 25, 2019 by Erik Fransson
- Closed
- 3
updated Nov 25, 2019
WIP: Resolve "add new fitting method (ADMM)"

!184 · created May 07, 2019 by Mattias Ångqvist
Suggestion
- Closed
- 14
updated May 20, 2019
Resolve "Differentiation of phonopy/phono3py/shengBTE IO functions"

!167 · created Feb 15, 2019 by Erik Fransson 0.5
Code Structure Interface To Do
- Closed
- 13
updated Feb 25, 2019
WIP: Resolve "Cutoff object needs to ensure that cutoff matrix is OK"

!173 · created Feb 21, 2019 by Fredrik Eriksson 0.5
Bug To Do
- Closed
updated Feb 21, 2019
added some docstrings to structures.py

!170 · created Feb 18, 2019 by Erik Fransson
- Closed
updated Feb 18, 2019
WIP: Resolve "Add functionality to build FCS directly from shengBTE data format"

!152 · created Jan 13, 2019 by Fredrik Eriksson
Suggestion
- Closed
updated Jan 13, 2019
Simple speedup for constraint matrix calc

!82 · created Apr 27, 2018 by Fredrik Eriksson
Performance
- Closed
- 7
updated Apr 30, 2018
WIP: Resolve "Implement multiprocessing"

!35 · created Jan 11, 2018 by Fredrik Eriksson
Performance
- Closed
updated Apr 10, 2018
Resolve "Include ElasticNet"

!55 · created Feb 09, 2018 by Erik Fransson
- Closed
updated Feb 09, 2018