mdkits 0.1a1__py3-none-any.whl → 0.1a2__py3-none-any.whl

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@@ -1,6 +1,6 @@
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  Metadata-Version: 2.3
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  Name: mdkits
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- Version: 0.1a1
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+ Version: 0.1a2
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  Summary: tools for md or dft
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  License: MIT
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  Keywords: molecular dynamics,density functional theory
@@ -26,7 +26,7 @@ mdkits/cli/supercell.py,sha256=r5iddLw1NNzj7NTFlR2j_jpD1AMfrsxhA08bPwQvVvg,2059
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  mdkits/cli/wrap.py,sha256=ZKJu0zG7z9mVG2n3RDX3fy0FTqQhOnHmUvA90hLhWX8,1043
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  mdkits/config/__init__.py,sha256=t3fgtnecTxRpKXySFvpPlWUE6b3KwgOaoWt25nv4Lbk,1039
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  mdkits/config/settings.yml,sha256=FY8lR5ffJrOen1O_Cnj28bsieQoG0DqagRRvgGc4s5I,71
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- mdkits/mdtool.py,sha256=chj09AgBp1hMttyZgMj-OvQ0bH4zLCV4c-_pp4-sbmU,443
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+ mdkits/mdkits.py,sha256=chj09AgBp1hMttyZgMj-OvQ0bH4zLCV4c-_pp4-sbmU,443
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  mdkits/util/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  mdkits/util/arg_type.py,sha256=YUFhYShTYfUe7xajgUCiCuaeNLH-wxMXvlcMRax4zRM,1469
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  mdkits/util/cp2k_input_parsing.py,sha256=6BFVsbBYxdauaUPrjr5h8JXk_R0bu7V3cbG2DEWWFlQ,1291
@@ -36,8 +36,8 @@ mdkits/util/fig_operation.py,sha256=FwffNUtXorMl6qE04FipgzcVljEQii7wrNJUCJMyY3E,
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  mdkits/util/numpy_geo.py,sha256=ngSNoXkt3bHjOdv77ZlvQGbj1V75IyjjUWlDi1J0V6g,3549
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  mdkits/util/os_operation.py,sha256=tNRjniDwFqARMy5Rf6MUNmaQGpJlyifCpuN16r8aB2g,828
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  mdkits/util/structure_parsing.py,sha256=mRPMJeih3O-ST7HeETDvBEkfV-1psT-XgxyYgDadV0U,4152
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- mdkits-0.1a1.dist-info/entry_points.txt,sha256=xoWWZ_yL87S501AzCO2ZjpnVuYkElC6z-8J3tmuIGXQ,44
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- mdkits-0.1a1.dist-info/LICENSE,sha256=VLaqyB0r_H7y3hUntfpPWcE3OATTedHWI983htLftcQ,1081
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- mdkits-0.1a1.dist-info/METADATA,sha256=rowYlqfhFyE4RIiuioe5FDx1l07sGM8jhn3ZmFZExD4,4284
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- mdkits-0.1a1.dist-info/WHEEL,sha256=XbeZDeTWKc1w7CSIyre5aMDU_-PohRwTQceYnisIYYY,88
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- mdkits-0.1a1.dist-info/RECORD,,
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+ mdkits-0.1a2.dist-info/entry_points.txt,sha256=xoWWZ_yL87S501AzCO2ZjpnVuYkElC6z-8J3tmuIGXQ,44
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+ mdkits-0.1a2.dist-info/LICENSE,sha256=VLaqyB0r_H7y3hUntfpPWcE3OATTedHWI983htLftcQ,1081
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+ mdkits-0.1a2.dist-info/METADATA,sha256=dlhqxoOVcAMLz1yvFEytZY5jkHqHc8c7Kur3FIeW1EU,4284
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+ mdkits-0.1a2.dist-info/WHEEL,sha256=XbeZDeTWKc1w7CSIyre5aMDU_-PohRwTQceYnisIYYY,88
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+ mdkits-0.1a2.dist-info/RECORD,,
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