#change in numerics
N3-rp_colvar.inp.out
#  
N3-rp_colvar.inp
#do not accumulate shift in outer scf preconditioner
O2.inp
#do not accumulate shift in outer scf preconditioner
H2O-3.inp
#do not accumulate shift in outer scf preconditioner
N3-rp_colvar.inp
H2O-MNDO-KDSOd.inp
LM-KSDO.inp
#do not accumulate shift in outer scf preconditioner
LM-KSDO-D.inp
# more FSI resets
N3-rp_colvar.inp
# change convergence setting as with new full single inverse energy converged before gradient
O2.inp
#improvements to full_single inverse
H2O-3.inp
#improvements to full_single inverse
N3-rp_colvar.inp
Periclase.inp
H2O-MNDO-KDSOd.inp
LM-KSDO.inp
LM-KSDO-D.inp
reset tests for vector transfer
O2.inp
H2O-3.inp
N3-rp_colvar.inp
Periclase.inp
H2O-MNDO-KDSOd.inp
LM-KSDO.inp
LM-KSDO-D.inp
new defaults for preconditioner
O2.inp
H2O-3.inp
Periclase.inp
LM-KSDO.inp
new defaults for preconditioner
LM-KSDO-D.inp
new defaults for preconditioner
SiO2.inp
#
H2O-MNDO-KDSOd.inp
#
H2O-3.inp
