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r37980778c78--786f5087473a9d3f5c7f35c3387f01a3
This archive presents all source code required to apply the calculations of lattice energies, using Materials Studio, and subsequent analyses, including assessment of... -
r37980778c78--4ba94cb051f1489b722eafd79d19e847
This archive presents all source code required to automatically prepare crystal structures from the Cambridge Structural Database for lattice energy calculations, apply the... -
r37980778c78--5c29e09783421b2a805a99ce5b298e68
This archive presents all source code required to apply the calculations of lattice energies, using Materials Studio, and subsequent analyses, including assessment of... -
Scripts and Jupyter Notebooks Required to Apply the Force-Field Calculations,...
This archive presents all source code required to automatically prepare crystal structures from the Cambridge Structural Database for lattice energy calculations, apply the...
