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Merge branch 'develop' into publish-gh-pages
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atztogo committed Dec 26, 2023
2 parents 8287ddb + 5c01bcb commit c57227c
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1 change: 1 addition & 0 deletions .github/workflows/phono3py-pytest-conda-mkl-v2.yml
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Expand Up @@ -6,6 +6,7 @@ on:
push:
branches-ignore:
- publish-gh-pages
- develop
- master
- rc

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1 change: 1 addition & 0 deletions .github/workflows/phono3py-pytest-conda-mkl.yml
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Expand Up @@ -6,6 +6,7 @@ on:
push:
branches-ignore:
- publish-gh-pages
- develop
- master
- rc

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1 change: 1 addition & 0 deletions .github/workflows/phono3py-pytest-conda.yml
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Expand Up @@ -6,6 +6,7 @@ on:
push:
branches-ignore:
- publish-gh-pages
- develop
- master
- rc

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4 changes: 4 additions & 0 deletions doc/changelog.md
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Expand Up @@ -2,6 +2,10 @@

# Change Log

## Dec-26-2023: Version 2.9.1

- Release to build conda-forge package.

## Dec-25-2023: Version 2.9.0

- Pre-release of version 3.0.
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2 changes: 1 addition & 1 deletion doc/conf.py
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Expand Up @@ -59,7 +59,7 @@
# The short X.Y version.
version = "2.9"
# The full version, including alpha/beta/rc tags.
release = "2.9.0"
release = "2.9.1"

# The language for content autogenerated by Sphinx. Refer to documentation
# for a list of supported languages.
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2 changes: 1 addition & 1 deletion phono3py/version.py
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Expand Up @@ -33,4 +33,4 @@
# ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
# POSSIBILITY OF SUCH DAMAGE.

__version__ = "2.9.0"
__version__ = "2.9.1"
10 changes: 5 additions & 5 deletions test/conductivity/test_kappa_RTA.py
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Expand Up @@ -124,10 +124,10 @@ def test_kappa_RTA_si_nomeshsym(si_pbesol: Phono3py, si_pbesol_nomeshsym: Phono3
def test_kappa_RTA_si_grg(si_pbesol_grg: Phono3py):
"""Test RTA by Si with GR-grid."""
if si_pbesol_grg._make_r0_average:
ref_kappa_RTA_grg = [94.293, 94.293, 94.293, 0, 0, 0]
ref_kappa_RTA_grg = [111.204, 111.204, 111.204, 0, 0, 0]
else:
ref_kappa_RTA_grg = [94.306, 94.306, 94.306, 0, 0, 0]
mesh = 20
ref_kappa_RTA_grg = [111.349, 111.349, 111.349, 0, 0, 0]
mesh = 30
ph3 = si_pbesol_grg
ph3.mesh_numbers = mesh
ph3.init_phph_interaction()
Expand All @@ -139,11 +139,11 @@ def test_kappa_RTA_si_grg(si_pbesol_grg: Phono3py):
kappa = ph3.thermal_conductivity.kappa.ravel()
np.testing.assert_equal(
ph3.thermal_conductivity.bz_grid.grid_matrix,
[[-4, 4, 4], [4, -4, 4], [4, 4, -4]],
[[-6, 6, 6], [6, -6, 6], [6, 6, -6]],
)
np.testing.assert_equal(
ph3.grid.grid_matrix,
[[-4, 4, 4], [4, -4, 4], [4, 4, -4]],
[[-6, 6, 6], [6, -6, 6], [6, 6, -6]],
)
A = ph3.grid.grid_matrix
D_diag = ph3.grid.D_diag
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