#
#  
nh3_g4x6_excl_mm.inp
#  
nh3_g4x6_excl_qm.inp
#  
water_colv_excl_mm.inp
#  
water_colv_excl_qm.inp
#  
water_fixd_excl_qm.inp
#  
water_g3x3_excl_mm.inp
#  
water_g3x3_excl_qm.inp
#  
nh3_g4x6_excl_mm.inp
#  
nh3_g4x6_excl_qm.inp
#  
water_colv_excl_mm.inp
#  
water_colv_excl_qm.inp
#  
water_fixd_excl_qm.inp
#  
water_g3x3_excl_mm.inp
#  
water_g3x3_excl_qm.inp
#  
nh3_g4x6_excl_mm.inp
#  
nh3_g4x6_excl_qm.inp
#  
water_colv_excl_mm.inp
#  
water_colv_excl_qm.inp
#  
water_fixd_excl_mm.inp
#  
water_fixd_excl_qm.inp
#  
water_g3x3_excl_mm.inp
#  
water_g3x3_excl_qm.inp
# reset due to the use of calpar for AM1 and PM3
nh3_g4x6_excl_mm.inp
nh3_g4x6_excl_qm.inp
Si_tersoff_qmmm.inp
water_colv_excl_mm.inp
water_colv_excl_qm.inp
water_fixd_excl_mm.inp
water_fixd_excl_qm.inp
water_g3x3_excl_mm.inp
water_g3x3_excl_qm.inp
#  
Si_tersoff_qmmm.inp
#  
Si_tersoff_qmmm.inp
#  
Si_tersoff_qmmm.inp
# new integral driver - numerics
Si_tersoff_qmmm.inp
# CODATA 2006
nh3_g4x6_excl_mm.inp
nh3_g4x6_excl_qm.inp
Si_tersoff_qmmm.inp
water_colv_excl_mm.inp
water_colv_excl_qm.inp
water_fixd_excl_mm.inp
water_fixd_excl_qm.inp
water_g3x3_excl_mm.inp
water_g3x3_excl_qm.inp
#  
Si_tersoff_qmmm.inp
# new integral module
Si_tersoff_qmmm.inp
Si_tersoff_qmmm.inp
# reset: new fock1
Si_tersoff_qmmm.inp
# numerics after new FOCK matrix construction
Si_tersoff_qmmm.inp
# numerics
Si_tersoff_qmmm.inp
# numerics
Si_tersoff_qmmm.inp
# bug fix fock1c_2el
Si_tersoff_qmmm.inp
# numerics
Si_tersoff_qmmm.inp
# numerics
nh3_g4x6_excl_mm.inp
nh3_g4x6_excl_qm.inp
water_colv_excl_qm.inp
water_fixd_excl_mm.inp
water_fixd_excl_qm.inp
water_g3x3_excl_qm.inp
# numerics
Si_tersoff_qmmm.inp
# ASPC reset 
nh3_g4x6_excl_mm.inp
# ASPC reset 
nh3_g4x6_excl_qm.inp
# ASPC reset 
water_colv_excl_mm.inp
# ASPC reset 
water_colv_excl_qm.inp
# ASPC reset 
water_fixd_excl_qm.inp
# ASPC reset 
water_g3x3_excl_mm.inp
# New initial guess ATOMIC 
nh3_g4x6_excl_qm.inp
# New initial guess ATOMIC 
Si_tersoff_qmmm.inp
# numerics
Si_tersoff_qmmm.inp
# New wfn extrapolation
nh3_g4x6_excl_mm.inp
nh3_g4x6_excl_qm.inp
water_colv_excl_mm.inp
water_colv_excl_qm.inp
water_fixd_excl_qm.inp
water_g3x3_excl_mm.inp
water_g3x3_excl_qm.inp
Si_tersoff_qmmm.inp
#substitution sm -> dbcsr
Si_tersoff_qmmm.inp
#
Si_tersoff_qmmm.inp
# Numerics changes due to different distributions 
Si_tersoff_qmmm.inp
# turned on dbcsr_multiply_fm_fm_t
Si_tersoff_qmmm.inp
#
Si_tersoff_qmmm.inp
# Numerics change 
Si_tersoff_qmmm.inp
# Numerics change 
Si_tersoff_qmmm.inp
# fm to dbcsr
Si_tersoff_qmmm.inp
# convert mo_derivs to dbcsr
Si_tersoff_qmmm.inp
#  
Si_tersoff_qmmm.inp
# Numerics 
Si_tersoff_qmmm.inp
#  
Si_tersoff_qmmm.inp
# analytic electrostatic in Fist
nh3_g4x6_excl_mm.inp
nh3_g4x6_excl_qm.inp
# Update of atomic weights 
water_colv_excl_mm.inp
water_colv_excl_qm.inp
water_fixd_excl_mm.inp
water_fixd_excl_qm.inp
water_g3x3_excl_mm.inp
water_g3x3_excl_qm.inp
Si_tersoff_qmmm.inp
# reset for numerics with a bunch of compilers/libs (all smaller than 1E-9)
Si_tersoff_qmmm.inp
# Numerics differences due to different distribution 
Si_tersoff_qmmm.inp
