12 projects
posym
posym module
cosymlib
Continuous measures of shape and symmetry
pyqchem
Python wrapper for Q-Chem
phonoLAMMPS
phonoLAMMPS module
pointgroup
pointgroup module
dynaphopy
dynaphopy module
symgroupy
symgroupy
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