HvD: The rtdb_get call on xfac resets the value of xfac causing the code to use the wrong weight for the Hartree-Fock exchange term. Now we check if nwxc is used and if so we query the nwxc module for the Hartree-Fock exchange weight. This fixes a gradient problem.
HvD: The rtdb_get call on xfac resets the value of xfac causing the code to
use the wrong weight for the Hartree-Fock exchange term. Now we check if
nwxc is used and if so we query the nwxc module for the Hartree-Fock exchange
weight. This fixes a gradient problem.





rangsimanketkaew/NWChem