pwact 0.3.3__py3-none-any.whl → 0.3.4__py3-none-any.whl

pwact/active_learning/init_bulk/init_bulk_run.py

@@ -164,15 +164,7 @@ def do_collection(resource: Resource, input_param:InitBulkParam):
         copy_dir(bigmodel_dir, os.path.join(collection_dir, INIT_BULK.bigmodel))        
     
     if len(result_save_path) > 0:
-        _path_path = []
-        for _data_path in result_save_path:
-            if input_param.data_format == PWDATA.extxyz:
-                _path_path.append(_data_path)
-            elif input_param.data_format == PWDATA.pwmlff_npy: # */PWdata/*.npy
-                tmp = search_files(_data_path, "*/position.npy")
-                _path_path.extend([os.path.dirname(_) for _ in tmp])
-            
-        result_lines = ["\"{}\",".format(_) for _ in _path_path]
+        result_lines = ["\"{}\",".format(_) for _ in result_save_path]
         result_lines = "\n".join(result_lines)
         # result_lines = result_lines[:-1] # Filter the last ','
         result_save_path = os.path.join(collection_dir, INIT_BULK.npy_format_name)

pwact/utils/constant.py

@@ -10,9 +10,9 @@ class AL_WORK:
     run_iter = "run"
 
 class AL_STRUCTURE:
-    train = "train"
-    explore = "explore"
-    labeling = "label"
+    train = "00.train"
+    explore = "01.explore"
+    labeling = "02.label"
     pertub = "pertub"
     aimd = "aimd"
     collection = "collection"

{pwact-0.3.3.dist-info → pwact-0.3.4.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: pwact
-Version: 0.3.3
+Version: 0.3.4
 Summary: PWACT is an open-source automated active learning platform based on MatPL for efficient data sampling.
 Home-page: https://github.com/LonxunQuantum/PWact
 Author: LonxunQuantum

{pwact-0.3.3.dist-info → pwact-0.3.4.dist-info}/RECORD

@@ -10,7 +10,7 @@ pwact/active_learning/init_bulk/aimd.py,sha256=XzDlX2vylaljQKoUnv6nrI2NfiOdHZpq8
 pwact/active_learning/init_bulk/direct.py,sha256=TBB7f13wbbURDgn4_IkgRZ-rwQ3p4gviNVYIAldi97U,9680
 pwact/active_learning/init_bulk/duplicate_scale.py,sha256=hlGAr27YJhOElMz5GMyN0wWoChia4Jj_tvENsJ3wSBs,9481
 pwact/active_learning/init_bulk/explore.py,sha256=IAxdOHPzCWjfvrHywyOuBQG2V76rpBZtsyNLQyIMThs,15932
-pwact/active_learning/init_bulk/init_bulk_run.py,sha256=1wXf4iFhMjrjhyI4JVRoIibE5glTrr1kadphfeEjIIU,10686
+pwact/active_learning/init_bulk/init_bulk_run.py,sha256=wAYAvSXifqfPvf4RqDi1jMQnMmjP9ZltKpGAj92oc5o,10294
 pwact/active_learning/init_bulk/relabel.py,sha256=gP_qqMWT_hMIcwFBdNmyVBHBpkQS52BzbQK80rGTvPQ,11974
 pwact/active_learning/init_bulk/relax.py,sha256=edyCZLEylUckIwOLBa55agUMo-aedj0dvoyG165YpuE,10450
 pwact/active_learning/label/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
@@ -41,7 +41,7 @@ pwact/bin/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 pwact/data_format/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 pwact/data_format/configop.py,sha256=6JA84cK7Ck-t1z3iLz3pPVJ-q4srhDiQQhs9-G-cxY0,11772
 pwact/utils/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-pwact/utils/constant.py,sha256=qKiASMwMpROa_w29NEyUG6Uov8di4UGprXBIa7tUGjc,19482
+pwact/utils/constant.py,sha256=xcd8zBFDTG6LCoYixAgYZlg0Szdc5BO_lIcP78wYo-0,19491
 pwact/utils/file_operation.py,sha256=bfLezgJHD3BRtZFm0HwSGTNBPukVNICZFpXYWMs68A4,9827
 pwact/utils/format_input_output.py,sha256=oYFydQy3-btXzieO2O2LbHFoeRyhPnLVE4c5TNgS-IQ,1798
 pwact/utils/json_operation.py,sha256=BqBsnIjk1URoMW_s2yu7Gk8IBxlir-oo6ivt8P3RIqg,1794
@@ -59,9 +59,9 @@ pwact/utils/app_lib/lammps.py,sha256=t3nkBqwkViO6UbnInGKAHiwVngHKayeat2pPEtaZZIU
 pwact/utils/app_lib/pwmat.py,sha256=PTRPkG_d00ibGhpCe2-4M7MW3dx2ZuAyb9hT2jl_LAs,18047
 pwact/utils/draw/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 pwact/utils/draw/hist_model_devi.py,sha256=o1Try-ekith2A7S6u1mt3zuTqaQwyw5tdURReh8BeLY,4945
-pwact-0.3.3.dist-info/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
-pwact-0.3.3.dist-info/METADATA,sha256=RKEDTPP72Lhu1USAu-WcBUzqfT48mBAkeVtVF9rdO8w,611
-pwact-0.3.3.dist-info/WHEEL,sha256=2wepM1nk4DS4eFpYrW1TTqPcoGNfHhhO_i5m4cOimbo,92
-pwact-0.3.3.dist-info/entry_points.txt,sha256=p61auAnpbn8E2WjvHNBA7rb9_NRAOCew4zdcCj33cGc,42
-pwact-0.3.3.dist-info/top_level.txt,sha256=fY1_7sH5Lke4dC9L8MbYM4fT5aat5eCkAmpkIzY1SlM,6
-pwact-0.3.3.dist-info/RECORD,,
+pwact-0.3.4.dist-info/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
+pwact-0.3.4.dist-info/METADATA,sha256=VaFPvc1Lh3poxy1gQNIUrPrjKzlErNB5_gGNyKcN0w8,611
+pwact-0.3.4.dist-info/WHEEL,sha256=2wepM1nk4DS4eFpYrW1TTqPcoGNfHhhO_i5m4cOimbo,92
+pwact-0.3.4.dist-info/entry_points.txt,sha256=p61auAnpbn8E2WjvHNBA7rb9_NRAOCew4zdcCj33cGc,42
+pwact-0.3.4.dist-info/top_level.txt,sha256=fY1_7sH5Lke4dC9L8MbYM4fT5aat5eCkAmpkIzY1SlM,6
+pwact-0.3.4.dist-info/RECORD,,