#
# just add file names for which the reference needs to be reset below, with some comment
#
#changed default convergence criterium
wat_mode_sel.inp         
wat_mode_sel_range.inp   
N3dye_vib_restart_vec2.inp
# chage in the initial guess changed numerics
wat_mode_sel.inp
wat_mode_sel_range.inp

N3dye_geoopt.inp
# CODATA 2006
N3dye_vib_bfgs.inp
# CODATA 2006
N3dye_vib_bfgs2.inp
N3dye_vib_bfgs.inp
# numerics after new units converter
N3dye_vib_bfgs2.inp
N3dye_vib_bfgs.inp
N3dye_geoopt.inp
N3dye_vib_bfgs2.inp
N3dye_vib_bfgs.inp
N3dye_vib_restart_vec.inp
#numerics parallel bfgs
N3dye_vib_bfgs2.inp
N3dye_vib_bfgs.inp
# FFTW3 now plans to use SSE by default 
N3dye_vib_bfgs.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
# Update of atomic weights 
wat_freq.inp
wat_freq_norot.inp
wat_freq_freeze.inp
wat_mode_sel.inp
wat_mode_sel_range.inp
#  
N3dye_vib_bfgs.inp
# reset few regs w.r.t. several different compilers
N3dye_vib_bfgs2.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
#  
#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
