pwact 0.1.13__tar.gz → 0.1.14__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {pwact-0.1.13 → pwact-0.1.14}/PKG-INFO +1 -1
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/user_input/cmd_infos.py +3 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact.egg-info/PKG-INFO +1 -1
- {pwact-0.1.13 → pwact-0.1.14}/setup.py +1 -1
- {pwact-0.1.13 → pwact-0.1.14}/LICENSE +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/README.md +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/__init__.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/__init__.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/environment.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/explore/__init__.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/explore/run_model_md.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/explore/select_image.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/init_bulk/__init__.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/init_bulk/aimd.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/init_bulk/duplicate_scale.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/init_bulk/init_bulk_run.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/init_bulk/relabel.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/init_bulk/relax.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/label/__init__.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/label/labeling.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/slurm/__init__.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/slurm/slurm.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/slurm/slurm_tool.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/test/__init__.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/test/test.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/train/__init__.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/train/dp_kpu.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/train/train_model.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/user_input/__init__.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/user_input/init_bulk_input.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/user_input/iter_input.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/user_input/resource.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/user_input/scf_param.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/user_input/train_param/__init__.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/user_input/train_param/model_param.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/user_input/train_param/nep_param.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/user_input/train_param/nn_feature_type.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/user_input/train_param/optimizer_param.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/user_input/train_param/train_param.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/user_input/train_param/work_file_param.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/user_input/workdir.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/bin/__init__.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/data_format/__init__.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/data_format/configop.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/main.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/utils/__init__.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/utils/app_lib/__init__.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/utils/app_lib/common.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/utils/app_lib/cp2k.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/utils/app_lib/lammps.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/utils/app_lib/pwmat.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/utils/constant.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/utils/file_operation.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/utils/format_input_output.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/utils/json_operation.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/utils/pre_al_data_util.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/utils/process_tool.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact/utils/slurm_script.py +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact.egg-info/SOURCES.txt +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact.egg-info/dependency_links.txt +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact.egg-info/entry_points.txt +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/pwact.egg-info/top_level.txt +0 -0
- {pwact-0.1.13 → pwact-0.1.14}/setup.cfg +0 -0
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@@ -47,12 +47,14 @@ def cmd_info_init_bulk():
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cmd_info += "init_bulk".lower() + "\n"
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cmd_info += "you could use this method to do relax, super cell, scale, pertub and aimd\n"
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cmd_info += "example: pwact init_bulk init_param.json machine.json\n\n"
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return cmd_info
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def cmd_info_run_iter():
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cmd_info = ""
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cmd_info += "run" + "\n"
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cmd_info += "you could use this method to do active learning sampling\n"
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cmd_info += "example: pwact run param.json machine.json\n\n"
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return cmd_info
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def cmd_info_kill():
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cmd_info = ""
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cmd_info += "example:\n"
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cmd_info += "'pwact kill init_bulk' for 'init_bulk' tasks\n"
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cmd_info += "'pwact kill run' for 'run' tasks\n\n"
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return cmd_info
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setuptools.setup(
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name="pwact",
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version="0.1.
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version="0.1.14",
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author="LonxunQuantum",
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author_email="lonxun@pwmat.com",
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description="PWACT is an open-source automated active learning platform based on PWMLFF for efficient data sampling.",
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{pwact-0.1.13 → pwact-0.1.14}/pwact/active_learning/user_input/train_param/nn_feature_type.py
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