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82ad565448
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AtomTranslation 改为以超胞晶格矢为单位，而不是以埃为单位
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2026-01-08 12:36:14 +08:00 |
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c4c549c669
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project-to-atom: add test
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2025-04-01 17:30:01 +08:00 |
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388c77db5f
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remove unused config
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2025-04-01 17:22:26 +08:00 |
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d4578c7991
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fix
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2024-12-24 17:47:02 +08:00 |
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f871c28768
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修改拉曼输出文件布局
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2024-12-22 15:53:11 +08:00 |
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d584951fd7
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fix raman, add test
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2024-12-04 15:21:09 +08:00 |
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0c073b73b5
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clean up
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2024-12-03 18:15:28 +08:00 |
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bf3c8430ed
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解决bug
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2024-12-03 17:56:22 +08:00 |
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eb6b903417
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写了 project_to_mode 但还没调试好
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2024-12-03 16:25:17 +08:00 |
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3f98ce8378
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add zpp-to-yaml test
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2024-12-02 18:51:17 +08:00 |
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7b4ea3bbf3
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add unfold test
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2024-12-02 18:27:40 +08:00 |
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28e4d29f2c
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init
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2024-11-21 16:18:06 +08:00 |
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2460c298c7
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adjust figure resolution
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2023-10-08 15:34:23 +08:00 |
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2267c82f0f
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调整画图，允许设置 y 轴刻度
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2023-10-07 17:55:19 +08:00 |
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e078cea43c
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不再平移 Q 点
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2023-10-07 15:52:49 +08:00 |
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f74258e8fc
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增加更多测试数据
统一 QPoint 为 Qpoint
fold 不再需要输入 PrimativeCell
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2023-10-07 15:03:56 +08:00 |
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81f9b732ad
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修正一个插值时的错误
添加更多测试
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2023-10-06 15:53:09 +08:00 |
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7590a2fb4a
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fix
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2023-10-05 20:32:45 +08:00 |
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6e741ee944
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bug fix
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2023-09-27 20:36:17 +08:00 |
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d157a45201
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修复bug, 增加功能
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2023-09-27 19:24:41 +08:00 |
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