jturney/libint
Libint is a high-performance library for computing Gaussian integrals in quantum mechanics
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
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Libint is a high-performance library for computing Gaussian integrals in quantum mechanics
C++ library for the implementation of tensor product calculations through a clean, concise user interface.
AQUARIUS (Advanced QUAntum moleculaR Iterative eqUation Solver) is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor operations. AQUARIUS is primarily focused on iterative methods such as CC, CI, and EOMCC.
Useful utility for submitting jobs onto clusters.