stjames 0.0.25__py3-none-any.whl → 0.0.27__py3-none-any.whl

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Files changed (8) hide show
  1. stjames/basis_set.py +5 -1
  2. stjames/methods.py +1 -0
  3. stjames/molecule.py +5 -1
  4. {stjames-0.0.25.dist-info → stjames-0.0.27.dist-info}/METADATA +1 -1
  5. {stjames-0.0.25.dist-info → stjames-0.0.27.dist-info}/RECORD +8 -8
  6. {stjames-0.0.25.dist-info → stjames-0.0.27.dist-info}/LICENSE +0 -0
  7. {stjames-0.0.25.dist-info → stjames-0.0.27.dist-info}/WHEEL +0 -0
  8. {stjames-0.0.25.dist-info → stjames-0.0.27.dist-info}/top_level.txt +0 -0
stjames/basis_set.py CHANGED
@@ -1,5 +1,9 @@
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  import pydantic
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- from typing import Optional, Self
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+
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+ try:
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+ from typing import Optional, Self
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+ except ImportError:
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+ from typing_extensions import Optional, Self
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  from .base import Base
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stjames/methods.py CHANGED
@@ -36,6 +36,7 @@ class Method(LowercaseStrEnum):
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  # range-separated
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  CAMB3LYP = "camb3lyp"
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  WB97XD = "wb97x_d"
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+ WB97XD3 = "wb97x_d3"
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  WB97XV = "wb97x_v"
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  WB97MV = "wb97m_v"
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stjames/molecule.py CHANGED
@@ -1,5 +1,9 @@
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  import pydantic
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- from typing import Optional, Self
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+
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+ try:
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+ from typing import Optional, Self
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+ except ImportError:
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+ from typing_extensions import Optional, Self
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  from .base import Base
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{stjames-0.0.25.dist-info → stjames-0.0.27.dist-info}/METADATA RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: stjames
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- Version: 0.0.25
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+ Version: 0.0.27
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  Summary: standardized JSON atom/molecule encoding scheme
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  Author-email: Corin Wagen <corin@rowansci.com>
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  Project-URL: Homepage, https://github.com/rowansci/stjames
{stjames-0.0.25.dist-info → stjames-0.0.27.dist-info}/RECORD RENAMED
@@ -1,15 +1,15 @@
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  stjames/__init__.py,sha256=yQF57YFNAXtZ7vqG89cRf1Pk4hKRCYlaTNzX4JkhHoo,471
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  stjames/_deprecated_solvent_settings.py,sha256=ALUZeQoxDS11EvZexT1J2SDAlLTiXe-x4jV8tenDqMc,445
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  stjames/base.py,sha256=ww8aRYBC1w1mga90QVOSdtQO8Dh3mPFn4oP0woQ_9qQ,1069
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- stjames/basis_set.py,sha256=uax7wOv7C9640TMDOkFqTQvgZ5UxvyWx1Fp8-IGzils,935
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+ stjames/basis_set.py,sha256=4Su3K3Y7G-4S8WHWOQE94d6hxoN6L_MkQUz3qoFqcB0,1014
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  stjames/calculation.py,sha256=iZ6dua78hWM7CsvtpHXs5Tmts-BAkB-iI1Fi7yvfqVo,786
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  stjames/corrections.py,sha256=_pNG3qSylfx0iyUxqwx9HPU0m032YwP6wSPCjbJrD94,358
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  stjames/diis_settings.py,sha256=QHc7L-hktkbOWBYr29byTdqL8lWJzKJiY9XW8ha4Qzo,552
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  stjames/grid_settings.py,sha256=WrSNGc-8_f87YBZYt9Hh7RbhM4MweADoVzwBMcSqcsE,640
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  stjames/int_settings.py,sha256=5HXp8opt5ZyY1UpmfaK7NVloWVLM5jkG0elEEqpVLUo,896
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- stjames/methods.py,sha256=rZrYN6jS-Xhc4DskICf-gDtV5j0wUgS8JeH3xfeN594,818
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+ stjames/methods.py,sha256=e7A3XH808JglgfCzISKyRKAxGDj7BQdcQQtgtTlgfNk,843
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  stjames/modes.py,sha256=xw46Cc7f3eTS8i35qECi-8DocAlANhayK3w4akD4HBU,496
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- stjames/molecule.py,sha256=2_cBc-00dM7I6J9_TFZTaomyUXlYHA4fP0Erb3zGVdM,2824
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+ stjames/molecule.py,sha256=CfZCvmyqs6UHy4ZM_PPtKDdIIW05qxZ5EJcjhXECSQw,2903
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  stjames/opt_settings.py,sha256=RwXikvwW6fTODK3FK8Xvyqy4DY-qMVtZHndWirBxujk,735
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  stjames/scf_settings.py,sha256=e31f1mWRmcFkMnc-loQak_2037L-l4AYpnl-glchrCc,2388
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  stjames/settings.py,sha256=0qZSiSN5R-ckhQDYD6FJf8HcVZwCQSVO5WAmcpAtR6A,8163
@@ -17,8 +17,8 @@ stjames/solvent_settings.py,sha256=3ssY-vQCCa071srfJbwCYEKDpWos8Mgvmg_dTpAnbJw,1
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  stjames/status.py,sha256=wTKNcNxStoEHrxxgr_zTyN90NITa3rxMQZzOgrCifEw,332
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  stjames/tasks.py,sha256=TTl-iTdvDNCZTdPsyS6bYmxzY0ez9PgYlL62fztayXQ,307
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  stjames/thermochem_settings.py,sha256=ZTLz31v8Ltutde5Nfm0vH5YahWjcfFWfr_R856KffxE,517
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- stjames-0.0.25.dist-info/LICENSE,sha256=i7ehYBS-6gGmbTcgU4mgk28pyOx2kScJ0kcx8n7bWLM,1084
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- stjames-0.0.25.dist-info/METADATA,sha256=lXsQNlEQyEmnzQNeevuIX9X6E9k6AfW_klQgTHx5sXs,1605
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- stjames-0.0.25.dist-info/WHEEL,sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ,92
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- stjames-0.0.25.dist-info/top_level.txt,sha256=FYCwxl6quhYOAgG-mnPQcCK8vsVM7B8rIUrO-WrQ_PI,8
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- stjames-0.0.25.dist-info/RECORD,,
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+ stjames-0.0.27.dist-info/LICENSE,sha256=i7ehYBS-6gGmbTcgU4mgk28pyOx2kScJ0kcx8n7bWLM,1084
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+ stjames-0.0.27.dist-info/METADATA,sha256=NKV9N70SLXdze-pl0ML4tPOSc5eKV71Q0NqYGtrQuDM,1605
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+ stjames-0.0.27.dist-info/WHEEL,sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ,92
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+ stjames-0.0.27.dist-info/top_level.txt,sha256=FYCwxl6quhYOAgG-mnPQcCK8vsVM7B8rIUrO-WrQ_PI,8
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+ stjames-0.0.27.dist-info/RECORD,,