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phonopy
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phono3py
A simulation package of phonon-phonon interaction related properties
http://phonopy.github.io/phono3py/
BSD 3-Clause "New" or "Revised" License
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Energy in dataset
#222
atztogo
closed
4 months ago
0
Release version 3.0.2
#221
atztogo
closed
4 months ago
0
Release version 3.0.1
#220
atztogo
closed
4 months ago
0
Preparation for major version release (version 3)
#219
atztogo
closed
4 months ago
0
Optimize get_fc3_sum -> get_fc3_sum_blas_like
#218
atztogo
closed
4 months ago
0
Replace openmp_per_bands and openmp_at_bands by !openmp_per_triplets in C
#217
atztogo
closed
4 months ago
0
Examine BLAS for ph-ph interaction calculation
#216
atztogo
closed
4 months ago
0
Memorize phase factors in inner loop for better performance
#215
atztogo
closed
4 months ago
0
[pre-commit.ci] pre-commit autoupdate
#214
pre-commit-ci[bot]
closed
4 months ago
0
[pre-commit.ci] pre-commit autoupdate
#213
pre-commit-ci[bot]
closed
5 months ago
0
[pre-commit.ci] pre-commit autoupdate
#212
pre-commit-ci[bot]
closed
5 months ago
1
Follow recent change of phonopy
#211
atztogo
closed
5 months ago
1
[pre-commit.ci] pre-commit autoupdate
#210
pre-commit-ci[bot]
closed
5 months ago
0
Add the name of National Institute for Materials Science
#209
atztogo
closed
6 months ago
1
Add KappaDOSTHM to replace KappaDOS
#208
atztogo
closed
6 months ago
1
[pre-commit.ci] pre-commit autoupdate
#207
pre-commit-ci[bot]
closed
6 months ago
1
Write boundary-mfp in kappa-*.hdf5 file
#206
atztogo
closed
7 months ago
1
[pre-commit.ci] pre-commit autoupdate
#205
pre-commit-ci[bot]
closed
7 months ago
1
Set version 2.9.1
#204
atztogo
closed
8 months ago
1
[pre-commit.ci] pre-commit autoupdate
#203
pre-commit-ci[bot]
closed
8 months ago
1
Release v2.9
#202
atztogo
closed
8 months ago
1
Set fc3-r0-average default
#201
atztogo
closed
8 months ago
1
Remove v1 compatibility
#200
atztogo
closed
8 months ago
1
fc3 transform with r0-average and all-shortest atom triplets
#199
atztogo
closed
8 months ago
1
Implemented shortest three atom distance measure
#198
atztogo
closed
8 months ago
1
Create C structure to bring data of triplets of atoms
#197
atztogo
closed
8 months ago
1
[pre-commit.ci] pre-commit autoupdate
#196
pre-commit-ci[bot]
closed
8 months ago
1
[pre-commit.ci] pre-commit autoupdate
#195
pre-commit-ci[bot]
closed
8 months ago
1
[pre-commit.ci] pre-commit autoupdate
#194
pre-commit-ci[bot]
closed
9 months ago
1
Release 2.8.0
#193
atztogo
closed
9 months ago
1
[pre-commit.ci] pre-commit autoupdate
#192
pre-commit-ci[bot]
closed
9 months ago
1
Fix unit conversion
#191
atztogo
closed
9 months ago
1
[pre-commit.ci] pre-commit autoupdate
#190
pre-commit-ci[bot]
closed
9 months ago
0
[pre-commit.ci] pre-commit autoupdate
#189
pre-commit-ci[bot]
closed
10 months ago
1
Update documentation
#188
atztogo
closed
6 months ago
1
[pre-commit.ci] pre-commit autoupdate
#187
pre-commit-ci[bot]
closed
10 months ago
1
[pre-commit.ci] pre-commit autoupdate
#186
pre-commit-ci[bot]
closed
11 months ago
1
Feature request for boundary scattering model
#185
akentphonon
closed
11 months ago
2
[pre-commit.ci] pre-commit autoupdate
#184
pre-commit-ci[bot]
closed
12 months ago
1
[pre-commit.ci] pre-commit autoupdate
#183
pre-commit-ci[bot]
closed
1 year ago
0
[pre-commit.ci] pre-commit autoupdate
#182
pre-commit-ci[bot]
closed
1 year ago
0
[pre-commit.ci] pre-commit autoupdate
#181
pre-commit-ci[bot]
closed
1 year ago
0
Set version 2.7.0
#180
atztogo
closed
1 year ago
1
Show error message in CUI when fc-calculator is required
#179
atztogo
closed
1 year ago
1
Refactor set_dataset_and_force_constants
#178
atztogo
closed
1 year ago
1
Disp setter
#177
atztogo
closed
1 year ago
1
[pre-commit.ci] pre-commit autoupdate
#176
pre-commit-ci[bot]
closed
1 year ago
1
Help: massive number of POSCAR-xxxxx produced by phono3py
#175
LePingKYXK
closed
1 year ago
4
Remove --v1 cmd option
#174
atztogo
closed
1 year ago
1
Add Grid matrix tests
#173
atztogo
closed
1 year ago
1
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