Issues
- 5
Pydantic error on import: "Pydantic does not support mixing more than one of TypeVar bounds, constraints and defaults"
#54 opened by Contextualist - 1
`from_smiles` function stacks molecules on top of each other when using multi-molecule strings
#40 opened by jandestrada - 1
- 1
[FEATURE] - Visualization Tool Suite
#34 opened by coltonbh - 1
[FEATURE] - Make clear that no results were computed on .success = False single point calcs
#45 opened by coltonbh - 1
- 1
[FEATURE] - `.open()` accepts extra arguments (like `multiplicity` or `charge`)
#27 opened by coltonbh - 0
- 0
- 0
- 0
- 0
Dump a trajectory to a concatenated .xyz file
#19 opened by coltonbh - 1
Constraint Specification
#15 opened by corinwagen