Similar repositories to electronic-structure/SIRIUS:
electronic-structure/SIRIUS
github
similar
bruneval/molgw
github
similar
eth-cscs/SpFFT
github
similar
merzlab/QUICK
github
similar
ghb24/NECI_STABLE
github
similar
abacusmodeling/abacus-develop
github
similar
susilehtola/erkale
github
similar
nwchemgit/nwchem
github
similar
pyscf/mpi4pyscf
github
similar
dftbplus/dftbplus
github
similar
QMC-Cornell/shci
github
similar
aoterodelaroza/critic2
github
similar
SebWouters/CheMPS2
github
similar
dftlibs/xcfun
github
similar
libmbd/libmbd
github
similar
eth-cscs/DLA-Future
github
similar
jhrmnn/pyberny
github
similar
zerothi/sisl
github
similar
sanshar/VMC
github
similar
danistefanovic/build-your-own-x
github
similar
abinit/abinit
github
similar
hande-qmc/hande
github
similar
abinit/pseudo_dojo
github
similar
orbkit/orbkit
github
similar
evaleev/libint
github
similar
cp2k/cp2k-input-tools
github
similar
QMCPACK/qmcpack
github
similar
MRChemSoft/mrchem
github
similar
giovannipizzi/seekpath
github
similar
spglib/spglib
github
similar
WagnerGroup/pyqmc
github
similar
EACcodes/PROFESS
github
similar
simint-chem/simint-generator
github
similar
eth-cscs/cmake-recipes
github
similar
romerogroup/pyprocar
github
similar
exciting/exciting
github
similar
GQCG/GQCP
github
similar
LCPQ/quantum_package
github
similar
fermisurfaces/IFermi
github
similar
f-fathurrahman/PWDFT.jl
github
similar