pwact 0.1.15__py3-none-any.whl → 0.1.16__py3-none-any.whl

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Files changed (7) hide show
  1. pwact/active_learning/init_bulk/init_bulk_run.py +6 -6
  2. {pwact-0.1.15.dist-info → pwact-0.1.16.dist-info}/METADATA +1 -1
  3. {pwact-0.1.15.dist-info → pwact-0.1.16.dist-info}/RECORD +7 -7
  4. {pwact-0.1.15.dist-info → pwact-0.1.16.dist-info}/LICENSE +0 -0
  5. {pwact-0.1.15.dist-info → pwact-0.1.16.dist-info}/WHEEL +0 -0
  6. {pwact-0.1.15.dist-info → pwact-0.1.16.dist-info}/entry_points.txt +0 -0
  7. {pwact-0.1.15.dist-info → pwact-0.1.16.dist-info}/top_level.txt +0 -0
pwact/active_learning/init_bulk/init_bulk_run.py CHANGED
@@ -166,9 +166,9 @@ def do_collection(resource: Resource, input_param:InitBulkParam):
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  write_to_file(result_save_path, result_lines, mode='w')
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  def scancel_jobs(work_dir):
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- relax_jobs = glob.glob(os.path.join(work_dir, TEMP_STRUCTURE.tmp_init_bulk_dir, INIT_BULK.relax, "slurm-*.out"))
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- scf_jobs = glob.glob(os.path.join(work_dir, TEMP_STRUCTURE.tmp_init_bulk_dir, INIT_BULK.aimd, "slurm-*.out"))
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- if len(scf_jobs) > 0:
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- scancle_job(scf_jobs)
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- elif len(relax_jobs) > 0:
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- scancle_job(relax_jobs)
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+ relax_job = os.path.join(work_dir, TEMP_STRUCTURE.tmp_init_bulk_dir, INIT_BULK.relax)
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+ scf_job = os.path.join(work_dir, TEMP_STRUCTURE.tmp_init_bulk_dir, INIT_BULK.aimd)
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+ print("Cancel aimd task:")
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+ scancle_job(scf_job)
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+ print("Cancel relax task:")
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+ scancle_job(relax_job)
{pwact-0.1.15.dist-info → pwact-0.1.16.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: 0.1.15
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+ Version: 0.1.16
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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-0.1.15.dist-info → pwact-0.1.16.dist-info}/RECORD RENAMED
@@ -8,7 +8,7 @@ pwact/active_learning/explore/select_image.py,sha256=QAoD1CxaC5Xn3W5rQHxTNWMN53K
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  pwact/active_learning/init_bulk/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  pwact/active_learning/init_bulk/aimd.py,sha256=hfhxK2su7qaA-yp1Ql6U_2cPRH6yoMfcwWI97nurxqU,10549
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  pwact/active_learning/init_bulk/duplicate_scale.py,sha256=oVFB6umOhI8xGxNTPowvztxYgJPGAopU2bvV_NaHpdM,9463
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- pwact/active_learning/init_bulk/init_bulk_run.py,sha256=6TrquDlpjkz61oBE05luZ6py2F41aZEvZyyTeVIRQiQ,8740
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+ pwact/active_learning/init_bulk/init_bulk_run.py,sha256=FG1EAXvuBJ1ERCg2htFVooif8mxcx4XyVgOoKF-1B_Q,8683
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  pwact/active_learning/init_bulk/relabel.py,sha256=08AzQzRtPbWxVmOkTgFlcalWF-jX1qHh2I4H5Umtz0Q,10520
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  pwact/active_learning/init_bulk/relax.py,sha256=VC448HxMqwzysXPrJtstLkuFbfbThRyAsD63vMQrAJo,10520
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  pwact/active_learning/label/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
@@ -51,9 +51,9 @@ pwact/utils/app_lib/common.py,sha256=KiKZHrk_SDwP9b8ZORor8rXzZbU-vSSjliqlYvjyvPQ
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  pwact/utils/app_lib/cp2k.py,sha256=vPTofDEz8Qd1A3gjMkMxXF8qWQLVz3XDc6-hSjRG7j0,10499
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  pwact/utils/app_lib/lammps.py,sha256=2oxHJHdDxfDDWWmnjo0gMNwgGvxABwuDgDlb8kbhgfk,8037
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  pwact/utils/app_lib/pwmat.py,sha256=l3O_AXExy0Sgkz0RQolrvRg0ZfHLLySFteQZ2dhqfhs,16543
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- pwact-0.1.15.dist-info/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
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- pwact-0.1.15.dist-info/METADATA,sha256=LfoeIIOCqFn0s-UfrGP9Hj1YAnnzud3CzR--4ebQloo,3659
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- pwact-0.1.15.dist-info/WHEEL,sha256=yQN5g4mg4AybRjkgi-9yy4iQEFibGQmlz78Pik5Or-A,92
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- pwact-0.1.15.dist-info/entry_points.txt,sha256=p61auAnpbn8E2WjvHNBA7rb9_NRAOCew4zdcCj33cGc,42
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- pwact-0.1.15.dist-info/top_level.txt,sha256=fY1_7sH5Lke4dC9L8MbYM4fT5aat5eCkAmpkIzY1SlM,6
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- pwact-0.1.15.dist-info/RECORD,,
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+ pwact-0.1.16.dist-info/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
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+ pwact-0.1.16.dist-info/METADATA,sha256=776PpNZB1FS6PJNf3jviTFmKX5iZ4wBtK2utsQh0Hes,3659
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+ pwact-0.1.16.dist-info/WHEEL,sha256=yQN5g4mg4AybRjkgi-9yy4iQEFibGQmlz78Pik5Or-A,92
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+ pwact-0.1.16.dist-info/entry_points.txt,sha256=p61auAnpbn8E2WjvHNBA7rb9_NRAOCew4zdcCj33cGc,42
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+ pwact-0.1.16.dist-info/top_level.txt,sha256=fY1_7sH5Lke4dC9L8MbYM4fT5aat5eCkAmpkIzY1SlM,6
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+ pwact-0.1.16.dist-info/RECORD,,
{pwact-0.1.15.dist-info → pwact-0.1.16.dist-info}/WHEEL RENAMED
File without changes