pwact 0.2.4__py3-none-any.whl → 0.3.1__py3-none-any.whl

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.
Files changed (8) hide show
  1. pwact/active_learning/environment.py +1 -1
  2. pwact/active_learning/user_input/iter_input.py +1 -1
  3. {pwact-0.2.4.dist-info → pwact-0.3.1.dist-info}/METADATA +1 -1
  4. {pwact-0.2.4.dist-info → pwact-0.3.1.dist-info}/RECORD +8 -8
  5. {pwact-0.2.4.dist-info → pwact-0.3.1.dist-info}/LICENSE +0 -0
  6. {pwact-0.2.4.dist-info → pwact-0.3.1.dist-info}/WHEEL +0 -0
  7. {pwact-0.2.4.dist-info → pwact-0.3.1.dist-info}/entry_points.txt +0 -0
  8. {pwact-0.2.4.dist-info → pwact-0.3.1.dist-info}/top_level.txt +0 -0
pwact/active_learning/environment.py CHANGED
@@ -8,7 +8,7 @@ def comm_info():
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  print("\n" + "=" * 50)
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  print(" PWACT Basic Information")
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  print("=" * 50)
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- print("Version: 0.2.3")
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+ print("Version: 0.3.0")
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  print("Compatible pwdata: >= 0.5.0")
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  print("Compatible MatPL: >= 2025.3")
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  print("Contact: support@pwmat.com")
pwact/active_learning/user_input/iter_input.py CHANGED
@@ -158,7 +158,7 @@ class ExploreParam(object):
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  elif isinstance(sys_config, dict):
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  config = os.path.join(sys_config_prefix, sys_config["config"]) if sys_config_prefix is not None else sys_config["config"]
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  config_format = get_parameter("format", sys_config, PWDATA.pwmat_config)
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- if not os.path.exists:
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+ if not os.path.exists(config):
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  raise Exception("ERROR! The sys_config {} file does not exist!".format(config))
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  self.sys_configs.append(SysConfig(config, config_format))
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{pwact-0.2.4.dist-info → pwact-0.3.1.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: 0.2.4
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+ Version: 0.3.1
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  Summary: PWACT is an open-source automated active learning platform based on PWMLFF for efficient data sampling.
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  Home-page: https://github.com/LonxunQuantum/PWact
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  Author: LonxunQuantum
{pwact-0.2.4.dist-info → pwact-0.3.1.dist-info}/RECORD RENAMED
@@ -1,7 +1,7 @@
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  pwact/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  pwact/main.py,sha256=jCqNp0tn8P7R8EdPt81bqZlC-Ixjp_rnnFxMT7JAfXI,15375
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  pwact/active_learning/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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- pwact/active_learning/environment.py,sha256=XLaaz5m2E6XUQcCOGOsnJpB5B-ucdkeUActV-Puoytw,512
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+ pwact/active_learning/environment.py,sha256=oDeSMCnBnwRe3bA0l9miDyQGaIE-gcf2ML2eOE7rPJk,512
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  pwact/active_learning/explore/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  pwact/active_learning/explore/run_model_md.py,sha256=n3f6aSMr1Cpw_cSUrlH28JwoWW7VLwUMcF1XB0ao2sw,27448
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  pwact/active_learning/explore/select_image.py,sha256=1zpTCs_15FRlffBYfy1HQ1r79p2dNM8u8ZHvPysQTvc,14597
@@ -26,7 +26,7 @@ pwact/active_learning/train/train_model.py,sha256=Hh6_yq_86Y4pqP60sbEaeCJexD9a-B
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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=7k0M3BaP1dMWK2Bglvb2WXQ2Ugrfy0v7yMqPqWqNCdE,12744
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+ pwact/active_learning/user_input/iter_input.py,sha256=TctIZ3WAWQ_waGuPaK6F_uZjRKFM8oidF5iVE4SAI1o,12752
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  pwact/active_learning/user_input/resource.py,sha256=OtsJEAWmMknLyrPB309C6ipyL1fCXHriF8sjXs5pjmg,7351
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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
@@ -59,9 +59,9 @@ pwact/utils/app_lib/lammps.py,sha256=t3nkBqwkViO6UbnInGKAHiwVngHKayeat2pPEtaZZIU
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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-0.2.4.dist-info/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
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- pwact-0.2.4.dist-info/METADATA,sha256=GVYsYIyaZhRXCZ60lqRiB5_rp61QuGVvLXnzuvaapus,612
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- pwact-0.2.4.dist-info/WHEEL,sha256=2wepM1nk4DS4eFpYrW1TTqPcoGNfHhhO_i5m4cOimbo,92
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- pwact-0.2.4.dist-info/entry_points.txt,sha256=p61auAnpbn8E2WjvHNBA7rb9_NRAOCew4zdcCj33cGc,42
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- pwact-0.2.4.dist-info/top_level.txt,sha256=fY1_7sH5Lke4dC9L8MbYM4fT5aat5eCkAmpkIzY1SlM,6
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- pwact-0.2.4.dist-info/RECORD,,
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+ pwact-0.3.1.dist-info/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
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+ pwact-0.3.1.dist-info/METADATA,sha256=lDIsIiByaSvWIEV_cLqEAqWTuHVkHn9bvs825xYZwnk,612
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+ pwact-0.3.1.dist-info/WHEEL,sha256=2wepM1nk4DS4eFpYrW1TTqPcoGNfHhhO_i5m4cOimbo,92
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+ pwact-0.3.1.dist-info/entry_points.txt,sha256=p61auAnpbn8E2WjvHNBA7rb9_NRAOCew4zdcCj33cGc,42
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+ pwact-0.3.1.dist-info/top_level.txt,sha256=fY1_7sH5Lke4dC9L8MbYM4fT5aat5eCkAmpkIzY1SlM,6
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+ pwact-0.3.1.dist-info/RECORD,,
{pwact-0.2.4.dist-info → pwact-0.3.1.dist-info}/LICENSE RENAMED
File without changes
{pwact-0.2.4.dist-info → pwact-0.3.1.dist-info}/WHEEL RENAMED
File without changes