#
#reset due to the new test_type for geometry optimization
C11H24-qmmmgapw-gauss-0.inp
#reset due to numerics
C11H24-qmmmgapw-gauss-0.inp
#serious bug fix in the definition of the atomic kind
C11H24-qmmmgapwall-gauss-0.inp  
C11H24-qmmmgapw-gauss-0.inp  
H2O-qmmm-gapw-fdbg.inp
#reset due to numerics
C11H24-qmmmgapwall-gauss-0.inp
H2O-qmmm-gapw-fdbg.inp
#  
C11H24-qmmmgapwall-gauss-0.inp
#  
C11H24-qmmmgapw-gauss-0.inp
#  
C11H24-qmmmgapwall-gauss-0.inp
#  
C11H24-qmmmgapw-gauss-0.inp
#  
H2O-qmmm-gapw-fdbg.inp
#  
C11H24-qmmmgapwall-gauss-0.inp
#  
C11H24-qmmmgapw-gauss-0.inp
#  
H2O-qmmm-gapw-fdbg.inp
#  
C11H24-qmmmgapwall-gauss-0.inp
#  
C11H24-qmmmgapw-gauss-0.inp
#  
H2O-qmmm-gapw-fdbg.inp
# CODATA 2006
C11H24-qmmmgapwall-gauss-0.inp
C11H24-qmmmgapw-gauss-0.inp
H2O-qmmm-gapw-fdbg.inp
# eps0 
C11H24-qmmmgapw-gauss-0.inp
# constant rootpi corrected 
C11H24-qmmmgapwall-gauss-0.inp
C11H24-qmmmgapw-gauss-0.inp
H2O-qmmm-gapw-fdbg.inp
#NL PP rewrite 
C11H24-qmmmgapw-gauss-0.inp 
# GAPW code rewrite 
C11H24-qmmmgapwall-gauss-0.inp
# GAPW code rewrite 
C11H24-qmmmgapw-gauss-0.inp
# GAPW code rewrite 
H2O-qmmm-gapw-fdbg.inp
#
C11H24-qmmmgapwall-gauss-0.inp
# GAPW rewrite 2nd step 
C11H24-qmmmgapw-gauss-0.inp
#new HFX code
H2O-qmmm-hfx.inp
#restore screening for derivs
H2O-qmmm-hfx.inp
#bug fix screening force
H2O-qmmm-hfx.inp
# analytic electrostatic in Fist
C11H24-qmmmgapw-gauss-0.inp
H2O-qmmm-hfx.inp
# Update of atomic weights 
H2O-qmmm-hfx.inp
#  
C11H24-qmmmgapwall-gauss-0.inp
#  
C11H24-qmmmgapw-gauss-0.inp
#  
H2O-qmmm-gapw-fdbg.inp
#  
H2O-qmmm-hfx.inp
# improved BFGS and CELL_OPT, new defaults
C11H24-qmmmgapw-gauss-0.inp
# stabilize BFGS with model Hessian 
C11H24-qmmmgapw-gauss-0.inp
# BFGS fix atoms parallel bug fix + tiny improvement 
C11H24-qmmmgapw-gauss-0.inp
# Numerics due to changed BFGS model Hessian 
C11H24-qmmmgapw-gauss-0.inp
