From ef0f1b2527177a59faf5a57ca100cae8820510de Mon Sep 17 00:00:00 2001 From: VsevolodX Date: Sun, 28 Dec 2025 19:23:25 -0800 Subject: [PATCH 1/3] chore: bump made --- config.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/config.yml b/config.yml index 215a1ac4..3c109363 100644 --- a/config.yml +++ b/config.yml @@ -31,7 +31,7 @@ default: - uncertainties==3.1.6 - jinja2 - pymatgen-analysis-defects<=2024.4.23 - - mat3ra-made==2025.12.16.post0 + - mat3ra-made>=2025.12.29.post0 # packages below are used when made is installed from GH wheel (made should be installed from below) # - https://exabyte-io.github.io/made/mat3ra_made-0.1.dev1+ge64d360b8-py3-none-any.whl # - mat3ra-code From b4d946b8f55ad9cffe50ce8514a650f4f610d5ff Mon Sep 17 00:00:00 2001 From: VsevolodX Date: Sun, 28 Dec 2025 19:28:40 -0800 Subject: [PATCH 2/3] chore: small updates --- other/materials_designer/create_maxwell_disorder.ipynb | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/other/materials_designer/create_maxwell_disorder.ipynb b/other/materials_designer/create_maxwell_disorder.ipynb index 01b9b283..02928605 100644 --- a/other/materials_designer/create_maxwell_disorder.ipynb +++ b/other/materials_designer/create_maxwell_disorder.ipynb @@ -43,8 +43,8 @@ "source": [ "MATERIAL_INDEX = 0\n", "\n", - "# Temperature-like disorder parameter\n", - "DISORDER_PARAMETER = 300.0\n", + "# Temperature-like disorder parameter, close to temperature in eV.\n", + "DISORDER_PARAMETER = 3.0\n", "\n", "# Random seed for reproducibility (set to None for random behavior)\n", "RANDOM_SEED = 0\n", @@ -207,7 +207,7 @@ "outputs": [], "source": [ "from utils.jupyterlite import set_materials\n", - "\n", + "material_with_disorder.name = f\"{material.name} + Maxwell Disorder (T={DISORDER_PARAMETER})\"\n", "set_materials(material_with_disorder)" ] } From c24ff8877495eeecfce2d82620f95cb91d6c87b0 Mon Sep 17 00:00:00 2001 From: VsevolodX Date: Sun, 28 Dec 2025 19:52:43 -0800 Subject: [PATCH 3/3] chore: pt --- config.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/config.yml b/config.yml index 3c109363..953235ab 100644 --- a/config.yml +++ b/config.yml @@ -31,6 +31,7 @@ default: - uncertainties==3.1.6 - jinja2 - pymatgen-analysis-defects<=2024.4.23 + - mat3ra-periodic-table - mat3ra-made>=2025.12.29.post0 # packages below are used when made is installed from GH wheel (made should be installed from below) # - https://exabyte-io.github.io/made/mat3ra_made-0.1.dev1+ge64d360b8-py3-none-any.whl