12 projects
pointgroup
pointgroup module
pyqchem
Python wrapper for Q-Chem
posym
posym module
symgroupy
symgroupy
phonoLAMMPS
phonoLAMMPS module
dynaphopy
dynaphopy module
cosymlib
Continuous measures of shape and symmetry
wfnsympy
wfnsympy
kimonet
kimonet module
huckelpy
Package to calculate the molecular orbitals with the extended huckel method
gromorg
Simple Gromacs python wrapper
cuda_functions
cuda_functions module
