pwact 0.4.0__py3-none-any.whl → 0.4.0.dev0__py3-none-any.whl

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Files changed (7) hide show
  1. pwact/active_learning/user_input/iter_input.py +1 -1
  2. {pwact-0.4.0.dist-info → pwact-0.4.0.dev0.dist-info}/METADATA +1 -1
  3. {pwact-0.4.0.dist-info → pwact-0.4.0.dev0.dist-info}/RECORD +7 -7
  4. {pwact-0.4.0.dist-info → pwact-0.4.0.dev0.dist-info}/LICENSE +0 -0
  5. {pwact-0.4.0.dist-info → pwact-0.4.0.dev0.dist-info}/WHEEL +0 -0
  6. {pwact-0.4.0.dist-info → pwact-0.4.0.dev0.dist-info}/entry_points.txt +0 -0
  7. {pwact-0.4.0.dist-info → pwact-0.4.0.dev0.dist-info}/top_level.txt +0 -0
pwact/active_learning/user_input/iter_input.py CHANGED
@@ -164,7 +164,7 @@ class ExploreParam(object):
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  # lammps.in files
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  lmps_prefix = get_parameter("lmps_prefix", json_dict, None)
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- lmps_in = get_required_parameter("lmps_in", json_dict)
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+ lmps_in = get_parameter("lmps_in", json_dict, [])
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  if isinstance(lmps_in, str) or isinstance(lmps_in, dict):
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  lmps_in = [lmps_in]
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  self.lmps_in:list[str]=[]
{pwact-0.4.0.dist-info → pwact-0.4.0.dev0.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: pwact
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- Version: 0.4.0
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+ Version: 0.4.0.dev0
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  Summary: PWACT is an open-source automated active learning platform based on MatPL for efficient data sampling.
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  Home-page: https://github.com/LonxunQuantum/PWact
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  Author: LonxunQuantum
{pwact-0.4.0.dist-info → pwact-0.4.0.dev0.dist-info}/RECORD RENAMED
@@ -27,7 +27,7 @@ pwact/active_learning/train/train_model.py,sha256=yaBcGLBnM7NpuZu0o7lzZp2NjWPWzH
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  pwact/active_learning/user_input/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  pwact/active_learning/user_input/cmd_infos.py,sha256=g1QW5Wi3JvmC5xEY4F-7AO1xBuJSjHG8IhZjom8haxQ,3728
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  pwact/active_learning/user_input/init_bulk_input.py,sha256=M8IlT4ABJUEwomb6eQGq8d3h1darMHtDlws1fcq077k,9422
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- pwact/active_learning/user_input/iter_input.py,sha256=dSJfmRmFmtU8UwSERMpBEWun3lr_IiL3Re-oRdeksqY,14641
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+ pwact/active_learning/user_input/iter_input.py,sha256=Swwqvt9i_7ejV_CAQHW5-q23Y193gY4vcaP-VuujKOY,14636
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  pwact/active_learning/user_input/resource.py,sha256=V1FkcoLrjzKTkbd_3dYok69KyiKmwRCwGBatWAb-WoU,7517
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  pwact/active_learning/user_input/scf_param.py,sha256=QX_Dd6c9Q2sjV4lIKjfV7t-DgIwDKZp7fh2KY5HyKOU,11262
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  pwact/active_learning/user_input/workdir.py,sha256=64J3wBbYzy6ztYHs513YHfEIF5d8zwv_WpF-U9HOEkA,8245
@@ -60,9 +60,9 @@ pwact/utils/app_lib/lammps.py,sha256=Cs--aGwHL4RT2dkDbRYd5iF9xdmN5byWQTORIltbVGQ
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  pwact/utils/app_lib/pwmat.py,sha256=PTRPkG_d00ibGhpCe2-4M7MW3dx2ZuAyb9hT2jl_LAs,18047
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  pwact/utils/draw/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  pwact/utils/draw/hist_model_devi.py,sha256=o1Try-ekith2A7S6u1mt3zuTqaQwyw5tdURReh8BeLY,4945
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- pwact-0.4.0.dist-info/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
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- pwact-0.4.0.dist-info/METADATA,sha256=QHden_FJteJp-J6HvY0NS9wqQUw15JwjU9KbJWsoEjk,611
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- pwact-0.4.0.dist-info/WHEEL,sha256=2wepM1nk4DS4eFpYrW1TTqPcoGNfHhhO_i5m4cOimbo,92
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- pwact-0.4.0.dist-info/entry_points.txt,sha256=p61auAnpbn8E2WjvHNBA7rb9_NRAOCew4zdcCj33cGc,42
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- pwact-0.4.0.dist-info/top_level.txt,sha256=fY1_7sH5Lke4dC9L8MbYM4fT5aat5eCkAmpkIzY1SlM,6
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- pwact-0.4.0.dist-info/RECORD,,
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+ pwact-0.4.0.dev0.dist-info/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
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+ pwact-0.4.0.dev0.dist-info/METADATA,sha256=7XjEYfeCZSVwYIejWrAi-5B9AyF7JvgQFcogSaSJmAI,616
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+ pwact-0.4.0.dev0.dist-info/WHEEL,sha256=2wepM1nk4DS4eFpYrW1TTqPcoGNfHhhO_i5m4cOimbo,92
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+ pwact-0.4.0.dev0.dist-info/entry_points.txt,sha256=p61auAnpbn8E2WjvHNBA7rb9_NRAOCew4zdcCj33cGc,42
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+ pwact-0.4.0.dev0.dist-info/top_level.txt,sha256=fY1_7sH5Lke4dC9L8MbYM4fT5aat5eCkAmpkIzY1SlM,6
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+ pwact-0.4.0.dev0.dist-info/RECORD,,