#
#  
C4H10-qmmm-gauss-4.inp
#  
C4H10-qmmm-gauss-5.inp
#  
C4H10-qmmm-gauss-6.inp
#  
C4H10-qmmm-gauss-7.inp
#  
C4H10-qmmm-grid-8.inp
#  
C11H24-qmmm-gauss-0.inp
#  
sio2-qmmm-gauss-1.inp
#  
sio2-qmmm-gauss-3.inp
#  
C4H10-qmmm-gauss-3.inp
# numerical diifferences after reorganizing BFGS
C4H10-qmmm-gauss-10.inp
C4H10-qmmm-gauss-2.inp
C4H10-qmmm-gauss-9.inp
# New spline implementation
C4H10-qmmm-gauss-10.inp
C4H10-qmmm-gauss-11.inp
C4H10-qmmm-gauss-2.inp
C4H10-qmmm-gauss-3.inp
C4H10-qmmm-gauss-4.inp
C4H10-qmmm-gauss-5.inp
C4H10-qmmm-gauss-6.inp
C4H10-qmmm-gauss-7.inp
C4H10-qmmm-gauss-9.inp
C4H10-qmmm-grid-8.inp
sio2-qmmm-gauss-1.inp
sio2-qmmm-gauss-2.inp
#reset due to the new test_type scheme
C11H24-qmmm-gauss-0.inp
#reset due to numerics
C11H24-qmmm-gauss-0.inp
#  
C4H10-qmmm-gauss-3.inp
# new parallel scheme for QM/MM
C4H10-qmmm-gauss-5.inp
C4H10-qmmm-gauss-7.inp
C4H10-qmmm-gauss-6.inp
# improved parallel scheme for qm/mm. numerical reset
C4H10-qmmm-gauss-5.inp
# more complains from the regtester
C4H10-qmmm-gauss-7.inp
C4H10-qmmm-gauss-6.inp
#  
C4H10-qmmm-gauss-0.inp
#  
C4H10-qmmm-gauss-1.inp
#  
C4H10-qmmm-gauss-2.inp
#  
C4H10-qmmm-gauss-3.inp
#  
C4H10-qmmm-gauss-4.inp
#  
C4H10-qmmm-gauss-5.inp
#  
C4H10-qmmm-gauss-6.inp
#  
C4H10-qmmm-gauss-7.inp
#  
C4H10-qmmm-grid-8.inp
#  
C4H10-qmmm-gauss-9.inp
#  
C4H10-qmmm-gauss-10.inp
#  
C4H10-qmmm-gauss-11.inp
#  
C11H24-qmmm-gauss-0.inp
#  
sio2-qmmm-gauss-1.inp
#  
sio2-qmmm-gauss-2.inp
#  
sio2-qmmm-gauss-3.inp
#  
constr.inp
#  
C4H10-qmmm-gauss-12.inp
#  
constr_hb_mm.inp
#  
constr_hb_qm.inp
#  
C4H10-qmmm-gauss-3.inp
#  
C4H10-qmmm-gauss-4.inp
#  
C4H10-qmmm-grid-8.inp
#  
C4H10-qmmm-gauss-5.inp
#  
C4H10-qmmm-gauss-7.inp
#  
C4H10-qmmm-gauss-3.inp
#  
C4H10-qmmm-gauss-4.inp
#  
C4H10-qmmm-gauss-7.inp
#  
C4H10-qmmm-grid-8.inp
#  
C4H10-qmmm-gauss-5.inp
#  
C4H10-qmmm-gauss-4.inp
#  
C4H10-qmmm-gauss-5.inp
#  
C4H10-qmmm-gauss-6.inp
#  
C4H10-qmmm-grid-8.inp
#  
C4H10-qmmm-gauss-12.inp
#  
C4H10-qmmm-gauss-7.inp
#  
C4H10-qmmm-gauss-4.inp
#  
C4H10-qmmm-gauss-6.inp
#  
C4H10-qmmm-gauss-12.inp
#  
C4H10-qmmm-gauss-4.inp
#  
C4H10-qmmm-gauss-7.inp
# DFTB update
C4H10-qmmm-gauss-3.inp
C4H10-qmmm-gauss-4.inp
#  
C4H10-qmmm-gauss-3.inp
#  
C4H10-qmmm-gauss-5.inp
#  
C4H10-qmmm-gauss-6.inp
#  
C4H10-qmmm-gauss-7.inp
# bug fix in clean bends
constr_hb_mm.inp
#  
C4H10-qmmm-gauss-0.inp
#  
C4H10-qmmm-gauss-1.inp
#  
C4H10-qmmm-gauss-2.inp
#  
C4H10-qmmm-gauss-3.inp
#  
C4H10-qmmm-gauss-4.inp
#  
C4H10-qmmm-gauss-5.inp
#  
C4H10-qmmm-gauss-6.inp
#  
C4H10-qmmm-gauss-7.inp
#  
C4H10-qmmm-gauss-9.inp
#  
C4H10-qmmm-gauss-10.inp
#  
C4H10-qmmm-gauss-11.inp
#  
C11H24-qmmm-gauss-0.inp
#  
sio2-qmmm-gauss-1.inp
#  
sio2-qmmm-gauss-2.inp
#  
sio2-qmmm-gauss-3.inp
#  
constr.inp
#  
C4H10-qmmm-gauss-12.inp
#  
constr_hb_mm.inp
#  
constr_hb_qm.inp
#  
water_3_dist.inp
#  
C4H10-qmmm-gauss-3.inp
#  
C4H10-qmmm-gauss-4.inp
#  
C4H10-qmmm-gauss-5.inp
#  
C4H10-qmmm-gauss-6.inp
#  
C4H10-qmmm-gauss-7.inp
#  
constr.inp
#  
C4H10-qmmm-gauss-12.inp
#  
constr_hb_mm.inp
#  
constr_hb_qm.inp
#  
water_3_dist.inp
#  
C4H10-qmmm-gauss-3.inp
#  
C4H10-qmmm-gauss-4.inp
#  
C4H10-qmmm-gauss-5.inp
#  
C4H10-qmmm-gauss-6.inp
#  
C4H10-qmmm-gauss-7.inp
#  
constr.inp
#  
C4H10-qmmm-gauss-12.inp
#  
constr_hb_mm.inp
#  
constr_hb_qm.inp
#  
water_3_dist.inp
#  
C4H10-qmmm-gauss-3.inp
#  
C4H10-qmmm-gauss-4.inp
#  
C4H10-qmmm-gauss-5.inp
#  
C4H10-qmmm-gauss-6.inp
#  
C4H10-qmmm-gauss-7.inp
#  
sio2-qmmm-gauss-1.inp
#  
sio2-qmmm-gauss-2.inp
#  
C4H10-qmmm-gauss-12.inp
#  
constr_hb_mm.inp
#  
constr_hb_qm.inp
#  
water_3_dist.inp
# more numerically stable spline generation
sio2-qmmm-gauss-1.inp
sio2-qmmm-gauss-2.inp
# change in definition for MT cutoff
sio2-qmmm-gauss-3.inp
#
sio2-qmmm-gauss-3.inp
#  
C4H10-qmmm-gauss-7.inp
#  
C4H10-qmmm-gauss-0.inp
#  
C4H10-qmmm-gauss-1.inp
#  
C4H10-qmmm-gauss-2.inp
#  
C4H10-qmmm-gauss-3.inp
#  
C4H10-qmmm-gauss-4.inp
#  
C4H10-qmmm-gauss-5.inp
#  
C4H10-qmmm-gauss-6.inp
#  
C4H10-qmmm-gauss-7.inp
#  
C4H10-qmmm-gauss-9.inp
#  
C4H10-qmmm-gauss-10.inp
#  
C4H10-qmmm-gauss-11.inp
#  
C11H24-qmmm-gauss-0.inp
#  
sio2-qmmm-gauss-1.inp
#  
sio2-qmmm-gauss-2.inp
#  
sio2-qmmm-gauss-3.inp
#  
constr.inp
#  
C4H10-qmmm-gauss-12.inp
#  
constr_hb_mm.inp
#  
constr_hb_qm.inp
#  
water_3_dist.inp
#  
C4H10-qmmm-gauss-0.inp
#  
C4H10-qmmm-gauss-1.inp
#  
C4H10-qmmm-gauss-2.inp
#  
C4H10-qmmm-gauss-3.inp
#  
C4H10-qmmm-gauss-4.inp
#  
C4H10-qmmm-gauss-5.inp
#  
C4H10-qmmm-gauss-6.inp
#  
C4H10-qmmm-gauss-7.inp
#  
C4H10-qmmm-gauss-9.inp
#  
C4H10-qmmm-gauss-10.inp
#  
C4H10-qmmm-gauss-11.inp
#  
C11H24-qmmm-gauss-0.inp
#  
sio2-qmmm-gauss-1.inp
#  
sio2-qmmm-gauss-2.inp
#  
sio2-qmmm-gauss-3.inp
#  
constr.inp
#  
C4H10-qmmm-gauss-12.inp
#  
constr_hb_mm.inp
#  
constr_hb_qm.inp
#  
water_3_dist.inp
# CODATA 2006
C11H24-qmmm-gauss-0.inp
C4H10-qmmm-gauss-0.inp
C4H10-qmmm-gauss-10.inp
C4H10-qmmm-gauss-11.inp
C4H10-qmmm-gauss-12.inp
C4H10-qmmm-gauss-1.inp
C4H10-qmmm-gauss-2.inp
C4H10-qmmm-gauss-3.inp
C4H10-qmmm-gauss-4.inp
C4H10-qmmm-gauss-5.inp
C4H10-qmmm-gauss-6.inp
C4H10-qmmm-gauss-7.inp
C4H10-qmmm-gauss-9.inp
constr_hb_mm.inp
constr_hb_qm.inp
constr.inp
sio2-qmmm-gauss-1.inp
sio2-qmmm-gauss-2.inp
sio2-qmmm-gauss-3.inp
water_3_dist.inp
#  
C4H10-qmmm-gauss-0.inp
#  
C4H10-qmmm-gauss-1.inp
#  
C4H10-qmmm-gauss-2.inp
#  
C4H10-qmmm-gauss-3.inp
#  
C4H10-qmmm-gauss-4.inp
#  
C4H10-qmmm-gauss-5.inp
#  
C4H10-qmmm-gauss-6.inp
#  
C4H10-qmmm-gauss-7.inp
#  
C4H10-qmmm-gauss-9.inp
#  
C4H10-qmmm-gauss-10.inp
#  
C4H10-qmmm-gauss-11.inp
#  
C11H24-qmmm-gauss-0.inp
#  
sio2-qmmm-gauss-1.inp
#  
sio2-qmmm-gauss-2.inp
#  
sio2-qmmm-gauss-3.inp
#  
constr.inp
#  
C4H10-qmmm-gauss-12.inp
#  
constr_hb_mm.inp
#  
constr_hb_qm.inp
#  
water_3_dist.inp
# eps0 
sio2-qmmm-gauss-1.inp
sio2-qmmm-gauss-2.inp
# constant rootpi corrected 
C4H10-qmmm-gauss-3.inp
C4H10-qmmm-gauss-4.inp
C4H10-qmmm-gauss-5.inp
C4H10-qmmm-gauss-6.inp
C4H10-qmmm-gauss-7.inp
sio2-qmmm-gauss-1.inp
sio2-qmmm-gauss-2.inp
sio2-qmmm-gauss-3.inp
C4H10-qmmm-gauss-12.inp
constr_hb_mm.inp
constr_hb_qm.inp
# corrected build of ppnl lists 
C4H10-qmmm-gauss-0.inp
# numerics
constr_hb_mm.inp
constr_hb_qm.inp
# ASPC reset 
C4H10-qmmm-gauss-3.inp
# ASPC reset 
C4H10-qmmm-gauss-4.inp
# ASPC reset 
C4H10-qmmm-gauss-5.inp
# ASPC reset 
C4H10-qmmm-gauss-6.inp
# ASPC reset 
C4H10-qmmm-gauss-7.inp
# ASPC reset 
C4H10-qmmm-gauss-12.inp
# ASPC reset 
water_3_dist.inp
#NL PP rewrite 
C11H24-qmmm-gauss-0.inp 
C4H10-qmmm-gauss-0.inp 
C4H10-qmmm-gauss-11.inp 
C4H10-qmmm-gauss-1.inp 
constr_hb_mm.inp 
constr_hb_qm.inp 
constr.inp 
sio2-qmmm-gauss-1.inp 
sio2-qmmm-gauss-2.inp 
sio2-qmmm-gauss-3.inp 
# New initial guess ATOMIC 
sio2-qmmm-gauss-1.inp
# New initial guess ATOMIC 
sio2-qmmm-gauss-2.inp
# New initial guess ATOMIC 
sio2-qmmm-gauss-3.inp
# bug fix
sio2-qmmm-gauss-1.inp
sio2-qmmm-gauss-2.inp
# analytic electrostatic in Fist
C11H24-qmmm-gauss-0.inp
C4H10-qmmm-gauss-10.inp
C4H10-qmmm-gauss-11.inp
C4H10-qmmm-gauss-12.inp
C4H10-qmmm-gauss-2.inp
C4H10-qmmm-gauss-3.inp
C4H10-qmmm-gauss-4.inp
C4H10-qmmm-gauss-5.inp
C4H10-qmmm-gauss-6.inp
C4H10-qmmm-gauss-7.inp
C4H10-qmmm-gauss-9.inp
constr_hb_mm.inp
constr_hb_qm.inp
constr.inp
sio2-qmmm-gauss-1.inp
sio2-qmmm-gauss-2.inp
# Update of atomic weights 
C4H10-qmmm-gauss-3.inp
C4H10-qmmm-gauss-4.inp
C4H10-qmmm-gauss-5.inp
C4H10-qmmm-gauss-6.inp
C4H10-qmmm-gauss-7.inp
C4H10-qmmm-gauss-12.inp
constr_hb_mm.inp
constr_hb_qm.inp
water_3_dist.inp
# Numerical noise due to fixing of two single-precision constants 
C4H10-qmmm-gauss-3.inp
C4H10-qmmm-gauss-4.inp
C4H10-qmmm-gauss-6.inp
C4H10-qmmm-gauss-7.inp
sio2-qmmm-gauss-1.inp
sio2-qmmm-gauss-2.inp
# Numerics differences due to different distribution 
C4H10-qmmm-gauss-12.inp
# more numerics
C4H10-qmmm-gauss-5.inp
# 
C4H10-qmmm-gauss-12.inp
C4H10-qmmm-gauss-4.inp
C4H10-qmmm-gauss-5.inp
C4H10-qmmm-gauss-6.inp
C4H10-qmmm-gauss-7.inp
C4H10-qmmm-gauss-9.inp
#  
C4H10-qmmm-gauss-0.inp
#  
C4H10-qmmm-gauss-1.inp
#  
C4H10-qmmm-gauss-2.inp
#  
C4H10-qmmm-gauss-3.inp
#  
C4H10-qmmm-gauss-4.inp
#  
C4H10-qmmm-gauss-5.inp
#  
C4H10-qmmm-gauss-6.inp
#  
C4H10-qmmm-gauss-7.inp
#  
C4H10-qmmm-gauss-9.inp
#  
C4H10-qmmm-gauss-10.inp
#  
C4H10-qmmm-gauss-11.inp
#  
C11H24-qmmm-gauss-0.inp
#  
sio2-qmmm-gauss-1.inp
#  
sio2-qmmm-gauss-2.inp
#  
sio2-qmmm-gauss-3.inp
#  
constr.inp
#  
C4H10-qmmm-gauss-12.inp
#  
constr_hb_mm.inp
#  
constr_hb_qm.inp
#  
water_3_dist.inp
# improved BFGS and CELL_OPT, new defaults
C4H10-qmmm-gauss-2.inp
# improved BFGS and CELL_OPT, new defaults
C4H10-qmmm-gauss-9.inp
# improved BFGS and CELL_OPT, new defaults
C4H10-qmmm-gauss-10.inp
# improved BFGS and CELL_OPT, new defaults
C4H10-qmmm-gauss-11.inp
# improved BFGS and CELL_OPT, new defaults
C11H24-qmmm-gauss-0.inp
# improved BFGS and CELL_OPT, new defaults
constr.inp
# stabilize BFGS with model Hessian 
C4H10-qmmm-gauss-2.inp
# stabilize BFGS with model Hessian 
C4H10-qmmm-gauss-9.inp
# stabilize BFGS with model Hessian 
C4H10-qmmm-gauss-10.inp
# stabilize BFGS with model Hessian 
C4H10-qmmm-gauss-11.inp
# stabilize BFGS with model Hessian 
C11H24-qmmm-gauss-0.inp
# stabilize BFGS with model Hessian 
constr.inp
# reset numerics
C4H10-qmmm-gauss-6.inp
# BFGS fix atoms parallel bug fix + tiny improvement 
C4H10-qmmm-gauss-2.inp
# BFGS fix atoms parallel bug fix + tiny improvement 
C4H10-qmmm-gauss-9.inp
# BFGS fix atoms parallel bug fix + tiny improvement 
C4H10-qmmm-gauss-10.inp
# BFGS fix atoms parallel bug fix + tiny improvement 
C4H10-qmmm-gauss-11.inp
# BFGS fix atoms parallel bug fix + tiny improvement 
C11H24-qmmm-gauss-0.inp
# BFGS fix atoms parallel bug fix + tiny improvement 
constr.inp
#  
C4H10-qmmm-gauss-6.inp
#  
C4H10-qmmm-gauss-7.inp
# Numerics due to changed BFGS model Hessian 
C4H10-qmmm-gauss-2.inp
C4H10-qmmm-gauss-9.inp
C4H10-qmmm-gauss-10.inp
C4H10-qmmm-gauss-11.inp
C11H24-qmmm-gauss-0.inp
constr.inp
