14 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 3.0.14-1 0 0.00 General GTO integrals for quantum chemistry katherlee
libcint-cint3 3.0.0-1 0 0.00 General GTO integrals for quantum chemistry (cint3 branch) katherlee
nfft 3.4.1-2 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 1.6.1-1 0 0.00 Python module for quantum chemistry katherlee
python-pyscf-git 1.5.1.r20.ge0259cc4-1 0 0.00 Python-based Simulations of Chemistry Framework katherlee
python2-pyscf 1.6.1-1 1 0.00 Python-based Simulations of Chemistry Framework katherlee
python2-pyscf-git 1.5.1.r20.ge0259cc4-1 0 0.00 Python-based Simulations of Chemistry Framework katherlee
xcfun 1.x-1 0 0.00 Exchange-Correlation functionals with arbitrary order derivatives katherlee
xcfun-pyscf 1.x-1 0 0.00 Exchange-Correlation functionals with arbitrary order derivatives (compatible to PySCF) katherlee

14 packages found. Page 1 of 1.