mdkits 0.1.12__py3-none-any.whl → 0.1.13__py3-none-any.whl

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Files changed (6) hide show
  1. mdkits/util/arg_type.py +1 -2
  2. {mdkits-0.1.12.dist-info → mdkits-0.1.13.dist-info}/METADATA +1 -1
  3. {mdkits-0.1.12.dist-info → mdkits-0.1.13.dist-info}/RECORD +6 -6
  4. {mdkits-0.1.12.dist-info → mdkits-0.1.13.dist-info}/LICENSE +0 -0
  5. {mdkits-0.1.12.dist-info → mdkits-0.1.13.dist-info}/WHEEL +0 -0
  6. {mdkits-0.1.12.dist-info → mdkits-0.1.13.dist-info}/entry_points.txt +0 -0
mdkits/util/arg_type.py CHANGED
@@ -62,9 +62,8 @@ class StructureType(click.ParamType):
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  class MoleculeType(click.Choice):
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  name = "mocular type"
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  def __init__(self):
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- super().__init__(self)
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  g2.names.append(click.Path(exists=True))
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- self.choices = tuple(g2.names)
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+ super().__init__(choices=tuple(g2.names))
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  class AdsSiteType(click.Choice):
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  name = "adsorption site"
{mdkits-0.1.12.dist-info → mdkits-0.1.13.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.3
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  Name: mdkits
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- Version: 0.1.12
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+ Version: 0.1.13
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  Summary: kits for md or dft
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  License: MIT
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  Keywords: molecular dynamics,density functional theory
{mdkits-0.1.12.dist-info → mdkits-0.1.13.dist-info}/RECORD RENAMED
@@ -27,7 +27,7 @@ mdkits/config/__init__.py,sha256=ZSwmnPK02LxJLMgcYmNb-tIOk8fEuHf5jpqD3SDHWLg,103
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  mdkits/config/settings.yml,sha256=PY7u0PbFLuxSnd54H5tI9oMjUf-mzyADqSZtm99BwG0,71
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  mdkits/mdkits.py,sha256=7yZHo13dn_Nn5K7BNIrEXFN44WoZoWD_MqgRQGhTJEU,627
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  mdkits/util/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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- mdkits/util/arg_type.py,sha256=VQS9pMYr5CmVTy-BDSAaPrRNWnzC6up-vpoW0io8jYQ,2565
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+ mdkits/util/arg_type.py,sha256=VVIc3PSeIiyq2-s20KMem2feU0hI2v3fX7MBKpHsolw,2544
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  mdkits/util/cp2k_input_parsing.py,sha256=7NMVOYEGycarokLJlhLoWWilciM7sd8MWp5FVTF7hqI,1223
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  mdkits/util/encapsulated_ase.py,sha256=uhqIhsALxzwJYuFrfOYGGC6U0QLm_dcZNridvfl_XGc,4339
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  mdkits/util/encapsulated_mda.py,sha256=td3H24u3eHOIS2nwPucfIaMxeaVxI77oFI8nnNhw7vo,2217
@@ -36,8 +36,8 @@ mdkits/util/numpy_geo.py,sha256=1Op8THoQeyqybSZAi7hVxohYCr4SzY6ndZC8_gAGXDA,3619
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  mdkits/util/os_operation.py,sha256=ErN2ExjX9vZRfPe3ypsj4eyoQTEePqzlEX0Xm1N4lL4,980
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  mdkits/util/out_err.py,sha256=b4eFz9kqqNReK9UCHak9k5tBlEj9yHAIADDTRbaNaNk,693
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  mdkits/util/structure_parsing.py,sha256=mRPMJeih3O-ST7HeETDvBEkfV-1psT-XgxyYgDadV0U,4152
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- mdkits-0.1.12.dist-info/entry_points.txt,sha256=xoWWZ_yL87S501AzCO2ZjpnVuYkElC6z-8J3tmuIGXQ,44
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- mdkits-0.1.12.dist-info/LICENSE,sha256=VLaqyB0r_H7y3hUntfpPWcE3OATTedHWI983htLftcQ,1081
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- mdkits-0.1.12.dist-info/METADATA,sha256=Ly_7pZqUZJbgj_qvi2sK2PhiSJTPlOxXxmzqlbhiKZ4,6907
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- mdkits-0.1.12.dist-info/WHEEL,sha256=XbeZDeTWKc1w7CSIyre5aMDU_-PohRwTQceYnisIYYY,88
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- mdkits-0.1.12.dist-info/RECORD,,
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+ mdkits-0.1.13.dist-info/entry_points.txt,sha256=xoWWZ_yL87S501AzCO2ZjpnVuYkElC6z-8J3tmuIGXQ,44
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+ mdkits-0.1.13.dist-info/LICENSE,sha256=VLaqyB0r_H7y3hUntfpPWcE3OATTedHWI983htLftcQ,1081
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+ mdkits-0.1.13.dist-info/METADATA,sha256=m46S3Gbvpa5H0bQdHLA_V3JfJuA2F1AKOy2KIfMkbaY,6907
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+ mdkits-0.1.13.dist-info/WHEEL,sha256=XbeZDeTWKc1w7CSIyre5aMDU_-PohRwTQceYnisIYYY,88
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+ mdkits-0.1.13.dist-info/RECORD,,