Lists (1)
Stars
an automatic reaction network generator for reactive molecular dynamics simulation
A C++ library for the efficient evaluation of integrals over effective core potentials.
The wrappers to libcint (C), used in the Rust-based Electronic-Structure Tool (REST)
To perform a batch of electronic-structure calculations accordingly using different packages (Gaussian, Q-Chem, and FHI-aims).
A modular configuration of Vim and Neovim
A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)