- Replaced conjugate gradient minimisation by the limited memory algorithm
of Jorge Nocedal[5].
- The convergence for SLOPPYCONV and TIGHTCONV is now
based only on the RMS gradient. The energy change condition has gone.
- New parameters for the LBFGS routine. PRINTLEVEL sets the
print level parameters, UPDATES the number of LBFGS updates
before resetting and GTOL the tolerance for line minimisation.
David Wales
2015-11-16
