#
# just add file names for which the reference needs to be reset below, with some comment
#
# reset for bug fix for forces
argon_GENPOT_fcc-ql.inp
# reset for smearing
argon_GENPOT_fcc-ql.inp
# faster bonded correct gaussian and bug fix for stress tensor in shell model
water_3_dist_2.inp
# faster bonded correct gaussian and bug fix for stress tensor in shell model
water_3_dist_3.inp
water_3_dist_inter2.inp
# faster bonded correct gaussian and bug fix for stress tensor in shell model
water_3_dist_startC.inp
# bug fix in NVT + fixed atom constraints
nh3_4x6_fixd.inp
#  
JAC.inp
#  
JAC_us.inp
#  
JAC_gen.inp
#  
arginine.inp
#  
arginine0.inp
#  
arginine_crossC.inp
#  
water_reord.inp
#  
phenobenz.inp
#  
liquid.inp
#  
wat125.inp
#  
H2O-1-GENPOT.inp
#  
H2O-1-GENPOT-2.inp
#  
H2OFe-5_75.inp
#  
water_3_dist_2.inp
#  
water_3_dist_3.inp
#  
water32_hbonds_3.inp
#  
water32_hbonds_4.inp
#  
water_massive.inp
#  
water_3_dist_startC.inp
#  
H2O-fixd-rest.inp
#  
H2O-fixd-rest-2.inp
#  
H2O-restraint_1.inp
#  
H2O-restraint_2.inp
#  
mfi.inp
#  
water_3_dist_inter.inp
#  
water_3_dist_inter2.inp
#  
water_3_dist_mix.inp
#  
H2O-constr_1_ext.inp
#  
H2O-restraint_1_ext.inp
#  
nh3_4x6_ext.inp
#  
nh3_r4x6_ext.inp
#  
water_3_g3x3_ext.inp
#  
water_3_rg3x3_ext.inp
#  
H2OFe-5_75-3.inp
#  
H2OFe-5_75-4.inp
#  
H2OFe-5_75-5.inp
#  
H2OFe-5_75-6.inp
#  
H2OFe-5_75-7.inp
#  
water_3_dist_2_restr.inp
#  
interface.inp
#bug fix: thermostat region MOLECULE not allowed with global constraints
nh3_4x6_ext.inp
nh3_r4x6_ext.inp
# numerics after cleaning md and md_util
H2O-constr_1_ext.inp
# metadynamics decoupled from force calculation.. dependent only on MD
argon_GENPOT_fcc-ql.inp
# bug fix when interaction radius is larger than cell size
H2O-1-GENPOT-2.inp
H2O-1-GENPOT.inp
water32_hbonds_3.inp
water32_hbonds_4.inp
#changed default convergence criterium
wat_mode_sel.inp         
wat_mode_sel_range.inp   
#  
JAC_gen.inp
#  
JAC_gen.inp
#  
JAC.inp
N3dye_vib_restart_vec2.inp
# chage in the initial guess changed numerics
wat_mode_sel.inp
wat_mode_sel_range.inp

# CODATA 2006
arginine0.inp
arginine_crossC.inp
arginine.inp
argon_GENPOT_fcc-ql.inp
argon_GENPOT.inp
H2O-1-GENPOT-2.inp
H2O-1-GENPOT.inp
H2OFe-5_75.inp
JAC_gen.inp
JAC.inp
JAC_us.inp
liquid.inp
N3dye_geoopt.inp
phenobenz.inp
wat125.inp
water_reord.inp
# CODATA 2006
N3dye_vib_bfgs.inp
# CODATA 2006
N3dye_vib_bfgs2.inp
#  
JAC_gen.inp
# eps0 
JAC.inp
JAC_us.inp
N3dye_vib_bfgs.inp
JAC_gen.inp
liquid.inp
wat125.inp
H2O-1-GENPOT.inp
H2O-1-GENPOT-2.inp
H2OFe-5_75.inp
#  
JAC_gen.inp
# numerics after new units converter
N3dye_vib_bfgs2.inp
N3dye_vib_bfgs.inp
# numerics
arginine0.inp
arginine_crossC.inp
arginine.inp
N3dye_geoopt.inp
N3dye_vib_bfgs2.inp
N3dye_vib_bfgs.inp
N3dye_vib_restart_vec.inp
phenobenz.inp
#numerics parallel bfgs
N3dye_vib_bfgs2.inp
N3dye_vib_bfgs.inp
# bug fix for a(zero-cell)-a(non-zero-cell) interaction.
H2O-1-GENPOT-2.inp
H2O-1-GENPOT.inp
# FFTW3 now plans to use SSE by default 
N3dye_vib_bfgs.inp
# adding hills energy to the total energy
argon_GENPOT_fcc-ql.inp
# analytic electrostatic in Fist
H2O-1-GENPOT-2.inp
H2O-1-GENPOT.inp
H2OFe-5_75.inp
I3.inp
JAC_gen.inp
JAC.inp
JAC_us.inp
liquid.inp
N3dye_geoopt.inp
N3dye_vib_bfgs2.inp
N3dye_vib_bfgs.inp
N3dye_vib_inv_atoms.inp
N3dye_vib_restart_vec2.inp
N3dye_vib_restart_vec3.inp
N3dye_vib_restart_vec4.inp
N3dye_vib_restart_vec.inp
wat125.inp
water_tip4p.inp
# Update of atomic weights 
wat_freq.inp
wat_freq_norot.inp
wat_freq_freeze.inp
wat_mode_sel.inp
wat_mode_sel_range.inp
JAC_gen.inp
arginine.inp
arginine0.inp
arginine_crossC.inp
water_reord.inp
phenobenz.inp
liquid.inp
H2O-1-GENPOT.inp
H2O-1-GENPOT-2.inp
I3.inp
# Numerical noise due to fixing of two single-precision constants 
JAC.inp
JAC_us.inp
JAC_gen.inp
liquid.inp
wat125.inp
H2OFe-5_75.inp
#  
N3dye_vib_bfgs.inp
# reset few regs w.r.t. several different compilers
N3dye_vib_bfgs2.inp
# Fixed bug in autogenerated onfo's
JAC_gen.inp
arginine.inp
phenobenz.inp
# numerics after patch 0006
N3dye_vib_bfgs2.inp
N3dye_vib_bfgs.inp
# Small changes in ei14 interactions. Same comment as above.
N3dye_vib_bfgs2.inp
# 
N3dye_vib_bfgs.inp
# improved BFGS and CELL_OPT, new defaults
N3dye_geoopt.inp
# improved BFGS and CELL_OPT, new defaults
N3dye_vib_bfgs.inp
# improved BFGS and CELL_OPT, new defaults
N3dye_vib_bfgs2.inp
# Numerics 
N3dye_vib_bfgs.inp
N3dye_vib_bfgs2.inp
# stabilize BFGS with model Hessian 
N3dye_geoopt.inp
# stabilize BFGS with model Hessian 
N3dye_vib_bfgs.inp
# stabilize BFGS with model Hessian 
N3dye_vib_bfgs2.inp
# more numerics
N3dye_geoopt.inp
N3dye_vib_bfgs.inp
N3dye_vib_bfgs2.inp
# BFGS fix atoms parallel bug fix + tiny improvement 
N3dye_geoopt.inp
# BFGS fix atoms parallel bug fix + tiny improvement 
N3dye_vib_bfgs.inp
# BFGS fix atoms parallel bug fix + tiny improvement 
N3dye_vib_bfgs2.inp
#  
N3dye_vib_bfgs.inp
#  
N3dye_vib_bfgs2.inp
#  
phenobenz.inp
# use double precision
argon_GENPOT_fcc-ql.inp
#improvement of bfgs and curvy steps
N3dye_geoopt.inp
#improvement of bfgs and curvy steps
N3dye_vib_bfgs.inp
#improvement of bfgs and curvy steps
N3dye_vib_bfgs2.inp
#  
JAC.inp
#  
JAC_us.inp
#  
JAC_gen.inp
#  
phenobenz.inp
