We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
fix dgemm interface bug due to omp thread partition
molden example
fix bug in fci_rdm.c which free memory in wrong place
spin square for FCI wfn
add density fitting HF, DF-MP2
add the missing example uhf_casscf
fix bug in symm for linear molecule. Add symm support for fcidump
import modules in pyscf.future
add mcscf, cc, more fci solver
change cmake layout