Ecosyste.ms: Issues

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GitHub / phonopy/phonopy issues and pull requests

#497 - Set version 2.34.1

Pull Request - State: closed - Opened by atztogo 2 days ago - 1 comment

#496 - Refactoring of phonopy_script.py

Pull Request - State: closed - Opened by atztogo 4 days ago

#495 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 5 days ago

#494 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 12 days ago

#493 - Set version 2.34.0

Pull Request - State: closed - Opened by atztogo 18 days ago

#492 - Improve --rd auto option

Pull Request - State: closed - Opened by atztogo 19 days ago

#491 - Run pypolymlp test

Pull Request - State: closed - Opened by atztogo 20 days ago

#490 - New option --rd auto

Pull Request - State: closed - Opened by atztogo 21 days ago - 1 comment

#489 - Set version 2.33.4

Pull Request - State: closed - Opened by atztogo 22 days ago

#488 - Add function dense_to_sparse_svecs

Pull Request - State: closed - Opened by atztogo 23 days ago - 1 comment

#487 - Update calculator.py

Pull Request - State: closed - Opened by SergeevGregory 25 days ago

#486 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 27 days ago

#485 - CP2K interface fix angle unit

Pull Request - State: closed - Opened by i-am-a-teapot about 1 month ago - 1 comment

#484 - Set version 2.33.3

Pull Request - State: closed - Opened by atztogo about 1 month ago

#483 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 1 month ago

#482 - Remove symfc dependency to support windows build

Pull Request - State: closed - Opened by atztogo about 1 month ago - 1 comment

#481 - Change numpy dtype type string from int_ to long

Pull Request - State: closed - Opened by atztogo about 1 month ago

#480 - Release v2.33.2

Pull Request - State: closed - Opened by atztogo about 1 month ago

#479 - Set version 2.33.1

Pull Request - State: closed - Opened by atztogo about 1 month ago

#478 - Add another dataset for -6m2

Pull Request - State: closed - Opened by atztogo about 1 month ago

#477 - Add another dataset for -6m2

Pull Request - State: closed - Opened by atztogo about 1 month ago

#476 - `numpy._core._exceptions.MemoryError` in Windows NumPy 2

Issue - State: closed - Opened by DanielYang59 about 1 month ago - 12 comments

#475 - Set version 2.33.0

Pull Request - State: closed - Opened by atztogo about 1 month ago

#474 - Made store_dense_svecs=True as default setting

Pull Request - State: closed - Opened by atztogo about 1 month ago

#473 - Refactoring of FC solver interface

Pull Request - State: closed - Opened by atztogo about 1 month ago

#472 - Further refactoring of fc solver interface

Pull Request - State: closed - Opened by atztogo about 1 month ago

#471 - Refactoring of force constants interface

Pull Request - State: closed - Opened by atztogo about 1 month ago

#470 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 1 month ago

#469 - Set version 2.32.0

Pull Request - State: closed - Opened by atztogo about 2 months ago

#468 - Different results between CP2K and VASP

Issue - State: closed - Opened by YuliangS about 2 months ago - 1 comment

#467 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 2 months ago

#466 - Reuse the previous force constants in MLPSSCHA

Pull Request - State: closed - Opened by atztogo about 2 months ago

#465 - Implement SSCHA free energy

Pull Request - State: closed - Opened by atztogo about 2 months ago - 1 comment

#464 - Set version 2.31.2

Pull Request - State: closed - Opened by atztogo about 2 months ago

#463 - Refactor SSCHA feature

Pull Request - State: closed - Opened by atztogo about 2 months ago - 1 comment

#462 - Set version 2.31.1

Pull Request - State: closed - Opened by atztogo about 2 months ago

#461 - Refactoring of SSCHA interface

Pull Request - State: closed - Opened by atztogo about 2 months ago

#460 - SSCHA command user interface

Pull Request - State: closed - Opened by atztogo about 2 months ago

#459 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 2 months ago

#458 - Set version 2.31.0

Pull Request - State: closed - Opened by atztogo about 2 months ago

#457 - Phonon API for non-symmetrized structures does not work any more

Issue - State: closed - Opened by naik-aakash about 2 months ago - 9 comments

#456 - Add MLPSSCHA class

Pull Request - State: closed - Opened by atztogo about 2 months ago

#455 - Gruneisen API results different when updating phonopy from v2.27.0 to >=v2.28

Issue - State: closed - Opened by naik-aakash about 2 months ago - 11 comments

#454 - Remove unnecessary __init__.py

Pull Request - State: closed - Opened by atztogo about 2 months ago

#453 - Add another type of random-disp

Pull Request - State: closed - Opened by atztogo 2 months ago

#452 - Refactor Build system and CI

Pull Request - State: open - Opened by LecrisUT 2 months ago

#451 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 2 months ago

#450 - Set version 2.30.1

Pull Request - State: closed - Opened by atztogo 2 months ago

#449 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 2 months ago - 1 comment

#448 - Refactor phonopy-load command and document

Pull Request - State: closed - Opened by atztogo 2 months ago

#447 - Set version 2.30.0

Pull Request - State: closed - Opened by atztogo 2 months ago

#446 - Symfc as default when phonopy-load

Pull Request - State: closed - Opened by atztogo 2 months ago

#445 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 3 months ago

#444 - wrong results in irreps.yaml

Issue - State: closed - Opened by asiyeshokri 3 months ago - 1 comment

#443 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 3 months ago

#442 - Set version 2.29.0

Pull Request - State: closed - Opened by atztogo 3 months ago

#441 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 3 months ago - 1 comment

#440 - bug in calculating FORCE_CONSTANTS from FORCE_SETS

Issue - State: closed - Opened by SiyuChen 3 months ago - 12 comments

#439 - Encountered error during pip install phonopy

Issue - State: closed - Opened by Shibu778 3 months ago - 2 comments

#438 - Cui force sets

Pull Request - State: closed - Opened by atztogo 3 months ago

#436 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 3 months ago

#435 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 4 months ago

#434 - Classical statistics

Pull Request - State: closed - Opened by erhart1 4 months ago - 1 comment

#433 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 4 months ago

#432 - Fix storing strings in hdf5 (issue #431)

Pull Request - State: closed - Opened by atztogo 4 months ago

#430 - add scipy to dependencies (needed for qha tests)

Pull Request - State: closed - Opened by naik-aakash 4 months ago - 1 comment

#429 - add filename arg to write yaml for mesh and bs

Pull Request - State: closed - Opened by naik-aakash 4 months ago - 2 comments

#428 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 4 months ago

#427 - Fix NAC correction for OpenMP

Pull Request - State: closed - Opened by nicholascheng94 4 months ago - 1 comment

#426 - `Q_DIRECTION` within q-points mode doesn't work

Issue - State: closed - Opened by atztogo 4 months ago - 1 comment

#425 - Bug for non-analytic term corrections in phonon/qpoints.py

Issue - State: closed - Opened by nicholascheng94 4 months ago - 1 comment

#424 - Set version 2.28.0

Pull Request - State: closed - Opened by atztogo 4 months ago

#423 - the electronic entropy

Issue - State: open - Opened by Liang1Kai 4 months ago - 1 comment

#422 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 4 months ago

#421 - Implement pypolymlp CUI interface

Pull Request - State: closed - Opened by atztogo 5 months ago

#420 - Non-anlytic correction calculation issue

Issue - State: closed - Opened by tingguangli 5 months ago - 1 comment

#419 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 5 months ago

#418 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 5 months ago

#417 - Extended chemical symbols for PhonopyAtoms class

Pull Request - State: closed - Opened by atztogo 5 months ago

#416 - Set version 2.27

Pull Request - State: closed - Opened by atztogo 5 months ago

#415 - Isotope mass is replaced by default mass when creating supercells

Issue - State: closed - Opened by pablogila 5 months ago - 2 comments

#414 - Spglib < v2.5 treatment after #413

Pull Request - State: closed - Opened by atztogo 5 months ago

#413 - Address `spglib` dict interface `DeprecationWarnings`

Pull Request - State: closed - Opened by janosh 5 months ago - 4 comments

#411 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 5 months ago

#410 - Package py.typed with code

Pull Request - State: closed - Opened by Andrew-S-Rosen 5 months ago - 4 comments

#409 - Create py.typed

Pull Request - State: closed - Opened by Andrew-S-Rosen 5 months ago - 1 comment

#408 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 5 months ago

#407 - Release v2.26.7

Pull Request - State: closed - Opened by atztogo 5 months ago

#406 - Update examples to recommend phonopy-load

Pull Request - State: closed - Opened by atztogo 5 months ago

#405 - Update doc to recommend phonopy-load

Pull Request - State: closed - Opened by atztogo 5 months ago

#404 - Fatal error in launcher

Issue - State: open - Opened by Soumyadip615 5 months ago - 5 comments

#403 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 6 months ago

#402 - Bug with Phonopy Installation in Python 3.12 Environment

Issue - State: closed - Opened by obaica 6 months ago - 1 comment

#401 - ENH: add script to extract BORN file from QE ph.x output

Pull Request - State: closed - Opened by flokno 6 months ago - 4 comments

#400 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 6 months ago

#399 - Fix: collinear case error with abacus interface

Pull Request - State: closed - Opened by hongriTianqi 6 months ago - 3 comments

#398 - Fix: non-collinear mag missing in supercells generated by using abacus

Pull Request - State: closed - Opened by hongriTianqi 6 months ago - 2 comments