A massively-parallel, block-sparse tensor framework written in C++
C++ 328 63
The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.
C++ 81 27
Basic Tensor Algebra Subroutines
C++ 49 20
SeQuant: Symbolic Algebra of Tensors over Operators and Scalars
C++ 41 10
C++ 30 14
SeQuant: second quantization toolkit
16 7
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C++ standard-compliant adaptors for LLNL/Umpire's allocators
cmake modules and toolchains
hosts documentation for MPQC
Libint: high-performance library for computing Gaussian integrals in quantum mechanics
Seamless operability between C++11 and Python
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