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Seamless operability between C++11 and Python
A massively-parallel, block-sparse tensor framework written in C++
hosts documentation for MPQC
Libint: high-performance library for computing Gaussian integrals in quantum mechanics
Valeev Group website
cmake modules and toolchains
C++17 Wrapper for ScaLAPACK
Modern C++ (C++17) wrappers for BLACS
CUDA Tensor Transpose (cuTT) library
The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.
An application-focused API for memory management on NUMA & GPU architectures
SeQuant: second quantization toolkit
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
Distributed-memory, arbitrary-precision, dense and sparse-direct linear algebra, conic optimization, and lattice reduction
Multiresolution Adaptive Numerical Environment for Scientific Simulation
Test code for prototyping the parallel iTEBD calculation
Derives equations in many-body quantum mechanics