Valeev Group

Virginia Tech

Pinned Repositories

BTAS
Basic Tensor Algebra Subroutines
Language:C++47 21 6420
kit-cmake
cmake modules and toolchains
Language:CMake0 4 01
libint2-python
Libint: high-performance library for computing Gaussian integrals in quantum mechanics
Language:C++1 2 00
libintx
Language:C++19 5 09
mpqc
The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.
Language:C++68 27 5024
mpqc-docs
hosts documentation for MPQC
Language:HTML1 5 01
SeQuant
SeQuant: Symbolic Algebra of Tensors over Operators and Scalars
Language:C++18 12 816
SeQuant1
SeQuant: second quantization toolkit
16 18 07
tiledarray
A massively-parallel, block-sparse tensor framework written in C++
Language:C++268 24 17157
valeevgroup.github.io
Valeev Group website
Language:HTML0 15 00

Valeev Group's Repositories

ValeevGroup/tiledarray
A massively-parallel, block-sparse tensor framework written in C++
Language:C++268 24 17157
ValeevGroup/mpqc
The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.
Language:C++68 27 5024
ValeevGroup/BTAS
Basic Tensor Algebra Subroutines
Language:C++47 21 6420
ValeevGroup/libintx
Language:C++19 5 09
ValeevGroup/SeQuant
SeQuant: Symbolic Algebra of Tensors over Operators and Scalars
Language:C++18 12 816
ValeevGroup/SeQuant1
SeQuant: second quantization toolkit
16 18 07
ValeevGroup/libint2-python
Libint: high-performance library for computing Gaussian integrals in quantum mechanics
Language:C++1 2 00
ValeevGroup/mpqc-docs
hosts documentation for MPQC
Language:HTML1 5 01
ValeevGroup/docker-images
Language:Makefile0 5 00
ValeevGroup/kit-cmake
cmake modules and toolchains
Language:CMake0 4 01
ValeevGroup/linalg-cmake-modules
Language:CMake0 2 00
ValeevGroup/ttg_devreal
TTG: Template Task Graph C++ API
Language:C++0 1 00
ValeevGroup/ttg_fork
TTG: Template Task Graph C++ API
Language:C++0 1 00
ValeevGroup/valeevgroup.github.io
Valeev Group website
Language:HTML0 15 00
ValeevGroup/blacspp
Modern C++ (C++17) wrappers for BLACS
Language:C++2 0
ValeevGroup/cuda-api-wrappers
Thin, unified, C++-flavored wrappers for the CUDA APIs
Language:C++1 0
ValeevGroup/cutt
CUDA Tensor Transpose (cuTT) library
Language:C++4 0
ValeevGroup/DevOps
Language:C++5 0
ValeevGroup/Elemental
Distributed-memory, arbitrary-precision, dense and sparse-direct linear algebra, conic optimization, and lattice reduction
Language:C++3 0
ValeevGroup/ExchCXX
Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++
Language:C++2 0
ValeevGroup/GauXC
GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, etc) in the Gaussian basis set discretization of Kohn-Sham density function theory (KS-DFT) on heterogenous architectures.
Language:C++2 0
ValeevGroup/iTEBD
Test code for prototyping the parallel iTEBD calculation
Language:C++4 0
ValeevGroup/Librett
Language:C++1 0
ValeevGroup/madness
Multiresolution Adaptive Numerical Environment for Scientific Simulation
Language:C++10 0
ValeevGroup/MBEq
Derives equations in many-body quantum mechanics
Language:Python8 0
ValeevGroup/pybind11
Seamless operability between C++11 and Python
Language:C++2 0
ValeevGroup/scalapackpp
C++17 Wrapper for ScaLAPACK
Language:C++2 0
ValeevGroup/spack
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
Language:Python3 0
ValeevGroup/Umpire
An application-focused API for memory management on NUMA & GPU architectures
Language:C++2 0