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phonopy
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phonopy
Phonon code
http://phonopy.github.io/phonopy/
BSD 3-Clause "New" or "Revised" License
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Set version 2.26.1
#385
atztogo
closed
1 day ago
1
Update cmake setting
#384
atztogo
closed
1 day ago
0
Renew build system and release v2.26.0
#383
atztogo
closed
3 days ago
0
[pre-commit.ci] pre-commit autoupdate
#382
pre-commit-ci[bot]
closed
6 days ago
0
Reset warnings for issue #380
#381
atztogo
closed
1 week ago
4
QHA API turns all warnings into errors
#380
JaGeo
closed
1 week ago
7
Improve usability of pypolymlp
#379
atztogo
closed
1 week ago
0
Add mlp feature in api
#378
atztogo
closed
1 week ago
0
Add Pypolymlp interface
#377
atztogo
closed
1 week ago
0
[pre-commit.ci] pre-commit autoupdate
#376
pre-commit-ci[bot]
closed
1 week ago
0
Initialize variable e0
#375
visika
closed
2 weeks ago
1
Specify data type for the entropy array
#374
visika
closed
1 week ago
2
Replace some ImportError by ModuleNotFoundError
#373
atztogo
closed
2 weeks ago
0
Migration to Ruff
#372
atztogo
closed
2 weeks ago
0
Add a symfc test
#371
atztogo
closed
2 weeks ago
0
Treatment for numpy 2.0
#370
atztogo
closed
2 weeks ago
0
Dynamical matrix may change from numpy 2.0.0
#369
lan496
closed
2 weeks ago
5
Accessing older versions of phonopy
#368
siavash34
closed
2 weeks ago
1
[pre-commit.ci] pre-commit autoupdate
#367
pre-commit-ci[bot]
closed
2 weeks ago
0
Add helper functions to go to and from ASE
#366
tomdemeyere
closed
3 weeks ago
2
V2.24.2
#365
atztogo
closed
1 month ago
0
Set version v2.24.1
#364
atztogo
closed
1 month ago
0
Set version v2.24.0
#363
atztogo
closed
1 month ago
0
New phonopy-yaml format for type2 dataset
#362
atztogo
closed
1 month ago
0
VASP-DFPT & phonopy calculation - Is NSW=1 really necessary?
#361
TheGreatDeadOne
closed
1 month ago
1
Allow for `pip install phonopy[plot]` to get plotting dependencies
#360
Andrew-S-Rosen
closed
1 month ago
1
fix a bug
#359
Liang-jianxin
closed
1 month ago
1
support non-collinear magmom add for PWmat caculator
#358
Liang-jianxin
closed
1 month ago
2
support for use tag magmom for pwmat caculator
#357
Liang-jianxin
closed
1 month ago
3
2D dipole-dipole corrections
#356
bastonero
opened
2 months ago
1
Set version 2.23.1
#355
atztogo
closed
2 months ago
0
Add tests for supercell_energies attributes of API
#354
atztogo
closed
2 months ago
0
[pre-commit.ci] pre-commit autoupdate
#353
pre-commit-ci[bot]
closed
2 months ago
0
Include supercell energies in type-ii phonopy-yaml format
#352
atztogo
closed
2 months ago
1
Energy in dataset
#351
atztogo
closed
2 months ago
0
super huge and large amount of negative modes for an interface
#350
haiyuanwang2020
opened
2 months ago
3
[pre-commit.ci] pre-commit autoupdate
#349
pre-commit-ci[bot]
closed
2 months ago
0
Update pwmat.py
#348
Liang-jianxin
closed
2 months ago
2
[pre-commit.ci] pre-commit autoupdate
#347
pre-commit-ci[bot]
closed
3 months ago
0
unfolding phonon bandstructure with a vacancy
#346
rashigeek
closed
3 months ago
3
Non-collinear-magnetic like structure support
#345
atztogo
closed
3 months ago
1
Update to support non-collinear magnetic system
#344
atztogo
closed
3 months ago
1
add an interface to new calculator (pwmat)
#343
Liang-jianxin
closed
3 months ago
10
Need to install python-scipy?
#342
dmitri-labelle
opened
3 months ago
1
Fix random-disp with q-points only A part
#341
atztogo
closed
3 months ago
1
[pre-commit.ci] pre-commit autoupdate
#340
pre-commit-ci[bot]
closed
3 months ago
1
Improve tolerance to activate q-direction
#339
atztogo
closed
3 months ago
1
Fix calculation of q_direction in BandStructure class when NAC is on
#338
chazeon
closed
3 months ago
5
Fix calculation of q_direction for band struture with NAC
#337
chazeon
closed
3 months ago
1
Phonopy gruneisen api > no option to set filename of yaml files
#336
naik-aakash
opened
4 months ago
2
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