FindPointsGSLIB manages gslib resources. It provides a destructor implementation to clean up some of these resources and so it should follow the rule of 3 and either implement or delete the copy ...

Contribute to Mansi9022/Assignment-operator development by creating an account on GitHub.

We present a comprehensive study investigating the potential gain in accuracy for calculating absolute solvation free energies (ASFE) using a neural network potential to describe the intramolecular ...

Molecular simulations such as Monte Carlo, molecular dynamics, and metadynamics have been used to provide insight into crystallization phenomena, including nucleation and crystal growth. However, ...