ppinski-hqs

@HQSquantumsimulations

Pinned Repositories

block2-preview
Efficient parallel quantum chemistry DMRG in MPO formalism
Language:C++67 8 10023
xtb
Semiempirical Extended Tight-Binding Program Package
Language:Fortran591 33 504148
ActiveSpaceFinder
Language:Python20 6 35
dmrgscf
DMRG and DMRGSCF
Language:Python0 0 00
pyscf
Python module for quantum chemistry
Language:Python0 0 00
pyscf.github.io
pyscf-doc
Language:TeX0 0 00
dmrgscf
DMRG and DMRGSCF
Language:Python9 11 38
pyscf
Python module for quantum chemistry
Language:Python1.2k 80 1.5k586
pyscf.github.io
PySCF website and documentation
Language:TeX23 15 3053