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Chiu PeterChiu Peter
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9 files changed

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.github/workflows/upgrade-dependencies.yml

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@@ -23,10 +23,10 @@ jobs:
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- name: Upgrade Python dependencies
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shell: bash
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run: |
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python${{ matrix.python-version }} -m pip install --upgrade pip pip-tools wheel cython setuptools
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python${{ matrix.python-version }} -m pip install --upgrade "pip<25.3" pip-tools wheel cython setuptools
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python${{ matrix.python-version }} -m pip install `grep numpy== requirements/${{ matrix.os }}_py${{ matrix.python-version }}_extras.txt`
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python${{ matrix.python-version }} -m piptools compile -q --upgrade --resolver=backtracking -o requirements/${{ matrix.os }}_py${{ matrix.python-version }}.txt pyproject.toml
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python${{ matrix.python-version }} -m piptools compile -q --upgrade --resolver=backtracking --all-extras -o requirements/${{ matrix.os }}_py${{ matrix.python-version }}_extras.txt pyproject.toml
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python${{ matrix.python-version }} -m piptools compile -q --upgrade -o requirements/${{ matrix.os }}_py${{ matrix.python-version }}.txt pyproject.toml
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python${{ matrix.python-version }} -m piptools compile -q --upgrade --all-extras -o requirements/${{ matrix.os }}_py${{ matrix.python-version }}_extras.txt pyproject.toml
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- name: Detect changes
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id: changes
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shell: bash

.gitignore

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@@ -13,6 +13,3 @@ build/*
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*.egg-info
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dist/*
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.vscode
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.venv/
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_version.py

crystal_toolkit/components/phonon.py

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@@ -73,19 +73,11 @@ def __init__(
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self.create_store("bs", None)
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self.create_store("dos", None)
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bs, _ = PhononBandstructureAndDosComponent._get_ph_bs_dos(
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self.initial_data["default"]
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)
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self.create_store("bs-store", bs)
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self.create_store("bs", None)
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self.create_store("dos", None)
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@property
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def _sub_layouts(self) -> dict[str, Component]:
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# defaults
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state = {"label-select": "sc", "dos-select": "ap"}
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fig = PhononBandstructureAndDosComponent.get_figure(None, None)
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fig = PhononBandstructureAndDosComponent.get_figure(None, None)
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# Main plot
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graph = dcc.Graph(
@@ -100,10 +92,6 @@ def _sub_layouts(self) -> dict[str, Component]:
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zone = CrystalToolkitScene(
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data=zone_scene.to_json(), sceneSize="500px", id=self.id("zone")
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)
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zone_scene = self.get_brillouin_zone_scene(None)
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zone = CrystalToolkitScene(
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data=zone_scene.to_json(), sceneSize="500px", id=self.id("zone")
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)
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# Hide by default if not loaded by mpid, switching between k-paths
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# on-the-fly only supported for bandstructures retrieved from MP

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