#
#  
H2O-OT-1.inp
#  
H2O-OT-2.inp
#  
H2O-OT-4.inp
#  
H2O-OT-5.inp
#  
H2O-OT-LDMC-3.inp
#  
H2-1.inp
#  
H2-2.inp
#  
H2-3.inp
#  
Ar-14.inp
#  
Ar-15.inp
#  
Ar-16.inp
#  
Ar-17.inp
#  
Ar-18.inp
#  
Ar-19.inp
#  
Ar-20.inp
#  
Ar-21.inp
#  
H2O-7.inp
#  
H2O-8.inp
#  
H2O-9.inp
#  
H2O-10.inp
#  
H2O.inp
#  
H2O-OT-1.inp
#  
H2O-OT-2.inp
#  
H2O-OT-3.inp
#  
H2O-OT-4.inp
#  
H2O-OT-5.inp
#  
Ar-14.inp
#  
Ar-15.inp
#  
Ar-16.inp
#  
Ar-17.inp
#  
Ar-18.inp
#  
Ar-19.inp
#  
Ar-20.inp
#  
Ar-21.inp
#  
H2O-7.inp
#  
H2O-8.inp
#  
H2O-9.inp
#  
H2O-10.inp
#  
H2O-OT-ASPC-1.inp
#  
H2O-OT-ASPC-2.inp
#  
H2O-OT-ASPC-3.inp
#  
H2O-OT-ASPC-4.inp
#  
H2O-OT-ASPC-5.inp
#  
H2O-OT-ASPC-6.inp
#  
H2O-OT-1.inp
#  
H2O-OT-2.inp
#  
H2O-OT-5.inp
#  
Ar-21.inp
#  
H2O-9.inp
#  
H2O-10.inp
#  
H2-1.inp
#  
H2-2.inp
#  
H2-3.inp
#  
H2O-9.inp
#  
H2O-OT-1.inp
#  
H2O-OT-5.inp
#  
H2O-OT-ASPC-1.inp
#  
H2O-OT-1.inp
#  
H2O-OT-4.inp
#  
H2O-OT-5.inp
#  
H2O-10.inp
#  
H2O-9.inp
#  
H2O-OT-1.inp
#  
H2O-OT-5.inp
#  
H2O-10.inp
#  
H2O-OT-ASPC-1.inp
## DFTB update
H2O-OT-1.inp
H2O-OT-1.inp
#  
H2O.inp
#  
H2O-OT-1.inp
#  
H2O-OT-2.inp
#  
H2O-OT-3.inp
#  
H2O-OT-4.inp
#  
H2O-OT-5.inp
#  
Ar-14.inp
#  
Ar-15.inp
#  
Ar-16.inp
#  
Ar-17.inp
#  
Ar-18.inp
#  
Ar-19.inp
#  
Ar-20.inp
#  
Ar-21.inp
#  
H2O-7.inp
#  
H2O-8.inp
#  
H2O-9.inp
#  
H2O-10.inp
#  
H2O-OT-ASPC-1.inp
#  
H2O-OT-ASPC-2.inp
#  
H2O-OT-ASPC-3.inp
#  
H2O-OT-ASPC-4.inp
#  
H2O-OT-ASPC-5.inp
#  
H2O-OT-ASPC-6.inp
#  
H2O-bs_input.inp
#  
H2O.inp
#  
H2O-OT-1.inp
#  
H2O-OT-2.inp
#  
H2O-OT-3.inp
#  
H2O-OT-4.inp
#  
H2O-OT-5.inp
#  
H2O-bs_input.inp
#  
H2O.inp
#  
H2O-OT-1.inp
#  
H2O-OT-2.inp
#  
H2O-OT-3.inp
#  
H2O-OT-4.inp
#  
H2O-OT-5.inp
#  
H2O-bs_input.inp
#  
H2O.inp
#  
H2O-OT-1.inp
#  
H2O-OT-2.inp
#  
H2O-OT-3.inp
#  
H2O-OT-4.inp
#  
H2O-OT-5.inp
#  
H2O-OT-ASPC-1.inp
#  
H2O-OT-ASPC-2.inp
#  
H2O-OT-ASPC-3.inp
#  
H2O-OT-ASPC-4.inp
#  
H2O-OT-ASPC-5.inp
#  
H2O-OT-ASPC-6.inp
#  
H2O-bs_input.inp
#  
H2O.inp
#  
H2O-9.inp
#  
H2O.inp
#  
H2-1.inp
#  
H2-3.inp
#  
H2O-9.inp
#  
H2O.inp
#  
H2O-9.inp
H2-1.inp
#  
H2O.inp
#  
H2O-OT-1.inp
#  
H2O-OT-2.inp
#  
H2O-OT-3.inp
#  
H2O-OT-4.inp
#  
H2O-OT-5.inp
#  
H2-1.inp
#  
H2-2.inp
#  
H2-3.inp
#  
Ar-14.inp
#  
Ar-15.inp
#  
Ar-16.inp
#  
Ar-17.inp
#  
Ar-18.inp
#  
Ar-19.inp
#  
Ar-20.inp
#  
Ar-21.inp
#  
H2O-7.inp
#  
H2O-8.inp
#  
H2O-9.inp
#  
H2O-10.inp
#  
H2O-OT-ASPC-1.inp
#  
H2O-OT-ASPC-2.inp
#  
H2O-OT-ASPC-3.inp
#  
H2O-OT-ASPC-4.inp
#  
H2O-OT-ASPC-5.inp
#  
H2O-OT-ASPC-6.inp
#  
H2O-bs_input.inp
#  
H2O.inp
#  
H2O-OT-1.inp
#  
H2O-OT-2.inp
#  
H2O-OT-3.inp
#  
H2O-OT-4.inp
#  
H2O-OT-5.inp
#  
H2-1.inp
#  
H2-2.inp
#  
H2-3.inp
#  
Ar-14.inp
#  
Ar-15.inp
#  
Ar-16.inp
#  
Ar-17.inp
#  
Ar-18.inp
#  
Ar-19.inp
#  
Ar-20.inp
#  
Ar-21.inp
#  
H2O-7.inp
#  
H2O-8.inp
#  
H2O-9.inp
#  
H2O-10.inp
#  
H2O-OT-ASPC-1.inp
#  
H2O-OT-ASPC-2.inp
#  
H2O-OT-ASPC-3.inp
#  
H2O-OT-ASPC-4.inp
#  
H2O-OT-ASPC-5.inp
#  
H2O-OT-ASPC-6.inp
#  
H2O-bs_input.inp
# CODATA 2006
Ar-14.inp
Ar-15.inp
Ar-16.inp
Ar-17.inp
Ar-18.inp
Ar-19.inp
Ar-20.inp
Ar-21.inp
H2-1.inp
H2-2.inp
H2-3.inp
H2O-10.inp
H2O-7.inp
H2O-8.inp
H2O-9.inp
H2O-bs_input.inp
H2O.inp
H2O-OT-1.inp
H2O-OT-2.inp
H2O-OT-3.inp
H2O-OT-4.inp
H2O-OT-5.inp
H2O-OT-ASPC-1.inp
H2O-OT-ASPC-2.inp
H2O-OT-ASPC-3.inp
H2O-OT-ASPC-4.inp
H2O-OT-ASPC-5.inp
H2O-OT-ASPC-6.inp
#  
H2O.inp
#  
H2O-OT-1.inp
#  
H2O-OT-2.inp
#  
H2O-OT-3.inp
#  
H2O-OT-4.inp
#  
H2O-OT-5.inp
#  
H2-1.inp
#  
H2-2.inp
#  
H2-3.inp
#  
Ar-14.inp
#  
Ar-15.inp
#  
Ar-16.inp
#  
Ar-17.inp
#  
Ar-18.inp
#  
Ar-19.inp
#  
Ar-20.inp
#  
Ar-21.inp
#  
H2O-7.inp
#  
H2O-8.inp
#  
H2O-9.inp
#  
H2O-10.inp
#  
H2O-OT-ASPC-1.inp
#  
H2O-OT-ASPC-2.inp
#  
H2O-OT-ASPC-3.inp
#  
H2O-OT-ASPC-4.inp
#  
H2O-OT-ASPC-5.inp
#  
H2O-OT-ASPC-6.inp
#  
H2O-bs_input.inp
#  
H2O-OT-ASPC-1.inp
#  
H2O-OT-ASPC-2.inp
#  
H2O-OT-ASPC-3.inp
#  
H2O-OT-ASPC-4.inp
#  
H2O-OT-ASPC-5.inp
#  
H2O-OT-ASPC-6.inp
#  
H2O-9.inp
# unified cube_center 
H2O.inp
# unified cube_center 
H2-1.inp
# unified cube_center 
H2O-9.inp
# unified cube_center 
H2O-OT-ASPC-5.inp
# unified cube_center 
H2O-OT-ASPC-6.inp
# numerics
H2-2.inp
H2-3.inp
# ASPC reset 
H2O.inp
# ASPC reset 
H2O-OT-1.inp
# ASPC reset 
H2O-OT-2.inp
# ASPC reset 
H2O-OT-3.inp
# ASPC reset 
H2O-OT-4.inp
# ASPC reset 
H2O-OT-5.inp
# ASPC reset 
H2O-bs_input.inp
#NL PP rewrite 
Ar-17.inp 
Ar-18.inp 
Ar-19.inp 
Ar-20.inp 
Ar-21.inp 
H2O-bs_input.inp 
H2O.inp 
H2O-OT-1.inp 
H2O-OT-2.inp 
H2O-OT-3.inp 
H2O-OT-4.inp 
H2O-OT-5.inp 
H2O-OT-ASPC-1.inp 
H2O-OT-ASPC-2.inp 
H2O-OT-ASPC-3.inp 
H2O-OT-ASPC-4.inp 
H2O-OT-ASPC-5.inp 
H2O-OT-ASPC-6.inp 
Al_fermi.inp 
C_fermi.inp 
C_ot.inp 
# more numerics after NLPP
Ar-14.inp
Ar-15.inp
Ar-16.inp
H2O-9.inp
# New initial guess ATOMIC 
H2O.inp
# New initial guess ATOMIC 
H2O-OT-1.inp
# New initial guess ATOMIC 
Ar-14.inp
# New initial guess ATOMIC 
Ar-15.inp
# New initial guess ATOMIC 
Ar-16.inp
# New initial guess ATOMIC 
Ar-17.inp
# New initial guess ATOMIC 
Ar-18.inp
# New initial guess ATOMIC 
Ar-19.inp
# New initial guess ATOMIC 
Ar-20.inp
# New initial guess ATOMIC 
Ar-21.inp
# New initial guess ATOMIC 
H2O-7.inp
# New initial guess ATOMIC 
H2O-8.inp
# New initial guess ATOMIC 
H2O-9.inp
# New initial guess ATOMIC 
H2O-10.inp
# New initial guess ATOMIC 
H2O-OT-ASPC-1.inp
# New initial guess ATOMIC 
H2O-OT-ASPC-2.inp
# New initial guess ATOMIC 
H2O-bs_input.inp
# more numerics
H2O-OT-1.inp
#  
Ar-15.inp
#  
Ar-19.inp
#  
H2O-8.inp
#  
H2O-9.inp
#  
H2O-10.inp
#  
H2O-OT-1.inp
# Numerics changes due to different distributions 
H2O-OT-1.inp
#
H2O-OT-1.inp
# turned on dbcsr_multiply_fm_fm_t
H2O-OT-1.inp
# turned on dbcsr_multiply_fm_fm_t
H2O-OT-2.inp
# turned on dbcsr_multiply_fm_fm_t
H2O-OT-3.inp
# turned on dbcsr_multiply_fm_fm_t
H2O-OT-4.inp
# turned on dbcsr_multiply_fm_fm_t
H2O-OT-ASPC-1.inp
# turned on dbcsr_multiply_fm_fm_t
H2O-OT-ASPC-2.inp
# turned on dbcsr_multiply_fm_fm_t
H2O-OT-ASPC-5.inp
# turned on dbcsr_multiply_fm_fm_t
H2O-OT-ASPC-6.inp
#
H2O-OT-1.inp
#
H2O-8.inp
H2O-9.inp
H2O-10.inp
#  
H2-1.inp
#  
H2-2.inp
#  
H2-3.inp
#  
H2O-OT-ASPC-1.inp
#  
H2O-OT-ASPC-2.inp
# Update of atomic weights 
H2O.inp
H2O-OT-1.inp
H2O-OT-2.inp
H2O-OT-3.inp
H2O-OT-4.inp
H2O-OT-5.inp
H2O-OT-ASPC-1.inp
H2O-OT-ASPC-2.inp
H2O-OT-ASPC-3.inp
H2O-OT-ASPC-4.inp
H2O-OT-ASPC-5.inp
H2O-OT-ASPC-6.inp
H2O-bs_input.inp
# more numerics
H2O-OT-1.inp
#  
H2O.inp
#  
H2O-OT-1.inp
#  
H2O-OT-2.inp
#  
H2O-OT-3.inp
#  
H2O-OT-4.inp
#  
H2O-OT-5.inp
#  
Ar-14.inp
#  
Ar-15.inp
#  
Ar-16.inp
#  
Ar-17.inp
#  
Ar-18.inp
#  
Ar-19.inp
#  
Ar-20.inp
#  
Ar-21.inp
#  
H2O-7.inp
#  
H2O-8.inp
#  
H2O-9.inp
#  
H2O-10.inp
#  
H2O-OT-ASPC-1.inp
#  
H2O-OT-ASPC-2.inp
#  
H2O-OT-ASPC-3.inp
#  
H2O-OT-ASPC-4.inp
#  
H2O-OT-ASPC-5.inp
#  
H2O-OT-ASPC-6.inp
#  
H2O-bs_input.inp
#  
H2O-broyden-1.inp
#  
H2O-broyden-2.inp
#  
H2O-OT-1.inp
#do not accumulate shift in outer scf preconditioner
H2O-broyden-1.inp
H2O-broyden-2.inp
H2O-broyden-2.inp
#improvements to full_single inverse
H2O-inverse_up.inp
new defaults for preconditioner
H2O-OT-5.inp
new defaults for preconditioner
H2O-inverse_up.inp
# new filtering thrsholds
H2O-inverse_up.inp
#improve Hotelling
H2O-inverse_up.inp
