| 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 |
3.0.19-1 |
1 |
0.38 |
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 |
3.5.1-1 |
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 |
1.7.0-1 |
0 |
0.00 |
Python module for quantum chemistry |
katherlee
|
| python-pyscf-git |
1.6.4.r0.gaededeed-1 |
1 |
0.14 |
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
|