12 packages found. Page 1 of 1.

Name Version Votes Popularity? Description Maintainer
alpscore 2.2.0-2 1 0.00 ALPS Core libraries for numerical simulations of condensed matter systems. katherlee
alpscore-git 2.3.0.rc.1.r16.gc1be5698-1 1 0.00 ALPS Core libraries for numerical simulations of condensed matter systems. katherlee
alpscore-openmpi 2.2.0-1 0 0.00 ALPS Core libraries for numerical simulations of condensed matter systems. katherlee
alpscore-openmpi-git 0.5.5.r0.g50ade13-1 0 0.00 ALPS Core libraries for numerical simulations of condensed matter systems. katherlee
libcint 3.0.18-1 0 0.00 General GTO integrals for quantum chemistry katherlee
libcint-cint3 3.0.18-1 0 0.00 General GTO integrals for quantum chemistry (cint3 branch) katherlee
libxc3 3.0.1-2 0 0.00 library of exchange-correlation functionals for density-functional theory (version 3) katherlee
nfft 3.5.0-1 1 0.00 Library for computing Non-uniform Fast Fourier Transforms. katherlee
nfft-git 3.4.1.r129.g6ad552eb-1 0 0.00 Library for computing Non-uniform Fast Fourier Transforms. katherlee
python-pyscf 1.6.4-1 0 0.00 Python module for quantum chemistry katherlee
python-pyscf-git 1.6.4.r0.gaededeed-1 0 0.00 Python-based Simulations of Chemistry Framework katherlee
xcfun-pyscf 1.x-2 0 0.00 Exchange-Correlation functionals with arbitrary order derivatives (compatible to PySCF) katherlee

12 packages found. Page 1 of 1.