Releases: ss0832/BiasPotPy
Releases · ss0832/BiasPotPy
v1.2
v1.1
v1.0.1
v1.0-stable
I will officially release this code as a stable version.
This program is an optimizer to apply artificial potentials that cannot be achieved with the basic features of various quantum chemical simulation software (Gaussian Turbomole, etc.). You can mainly use this software to create an initial structure to calculate the transition state structure.