Dataset: Removes stoich from base dataset
@@ -358,7 +358,7 @@ class Dataset(Collection):
field="return_result",
as_array=False):
"""
- Queries the local Portal for the requested keys and stoichiometry.
+ Queries the local Portal for the requested keys.
Parameters
----------
@@ -426,7 +426,7 @@ class Dataset(Collection):
return True
- def compute(self, method, basis, driver=None, keywords=None, program=None, stoich="default", ignore_ds_type=False):
+ def compute(self, method, basis, driver=None, keywords=None, program=None, ignore_ds_type=False):
"""Executes a computational method for all reactions in the Dataset.
Previously completed computations are not repeated.
@@ -438,8 +438,6 @@ class Dataset(Collection):
The computational basis to compute (6-31G)
driver : str, optional
The type of computation to run (energy, gradient, etc)
- stoich : str, optional
- The stoichiometry of the requested compute (cp/nocp/etc)
keywords : str, optional
The keyword alias for the requested compute
program : str, optional
