#
# just add file names for which the reference needs to be reset below, with some comment
#
# bug fix in line search
argon_opt_cell.inp
argon_opt_cell_ks.inp
argon_opt_cell_md.inp
mfi_geo3.inp
# CODATA 2006
argon_opt_cell.inp
argon_opt_cell_ks.inp
argon_opt_cell_md.inp
ethene_colv3.inp
H2O-constr_1_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
H2O-fixd-rest-2.inp
H2O-fixd-rest.inp
H2O-restraint_1_ext.inp
H2O-restraint_1.inp
H2O-restraint_2.inp
interface.inp
mfi_geo3.inp
mfi_geo.inp
mfi.inp
nh3_4x6_ext.inp
nh3_4x6_fixd.inp
nh3_fixd_x.inp
nh3_fixd_xy.inp
nh3_fixd_y.inp
nh3_fixd_z.inp
nh3_r4x6_ext.inp
Si_tersoff.inp
test_pair.inp
test_ub1.inp
test_ub2.inp
water32_hbonds_3.inp
water32_hbonds_4.inp
water_3_dist_2.inp
water_3_dist_2_restr.inp
water_3_dist_3.inp
water_3_dist_inter2.inp
water_3_dist_inter.inp
water_3_dist_mix.inp
water_3_dist_startC.inp
water_3_g3x3_ext.inp
water_3_g3x3_fxd.inp
water_3_rg3x3_ext.inp
water_massive.inp
#  
argon_opt_cell.inp
#  
argon_opt_cell_md.inp
#  
Si_tersoff.inp
#  
nptf_ortho.inp
# eps0 
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
nh3_4x6_fixd.inp
water_3_g3x3_fxd.inp
water_3_dist_inter.inp
water_3_dist_inter2.inp
water_3_dist_mix.inp
H2O-constr_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
nh3_fixd_x.inp
nh3_fixd_xy.inp
nh3_fixd_y.inp
nh3_fixd_z.inp
nptf_ortho.inp
# bug fix averages - wrongly initialized
argon_opt_cell_md.inp
# bug fix
argon_opt_cell_md.inp
#  
H2O-constr_1_ext.inp
#  
water_3_g3x3_ext.inp
#  
H2O-constr_1_ext.inp
#  
water_3_g3x3_ext.inp
# bug fix for a(zero-cell)-a(non-zero-cell) interaction.
water32_hbonds_3.inp
water32_hbonds_4.inp
# analytic electrostatic in Fist
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
interface.inp
nh3_4x6_ext.inp
nh3_4x6_fixd.inp
nh3_fixd_x.inp
nh3_fixd_xy.inp
nh3_fixd_y.inp
nh3_fixd_z.inp
nh3_r4x6_ext.inp
nptf_ortho.inp
water32_hbonds_3.inp
water32_hbonds_4.inp
water_massive.inp
# bug fix
argon_opt_cell_ks.inp
# Update of atomic weights 
water_3_dist_2.inp
water_3_dist_3.inp
water32_hbonds_3.inp
water32_hbonds_4.inp
water_3_dist_startC.inp
H2O-fixd-rest.inp
H2O-fixd-rest-2.inp
H2O-restraint_1.inp
H2O-restraint_2.inp
ethene_colv3.inp
nh3_4x6_fixd.inp
water_3_g3x3_fxd.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
water_3_dist_2_restr.inp
interface.inp
nh3_fixd_x.inp
nh3_fixd_xy.inp
nh3_fixd_y.inp
nh3_fixd_z.inp
bonded-1.inp
bonded-2.inp
bonded-3.inp
# Numerical noise due to fixing of two single-precision constants 
water32_hbonds_3.inp
water32_hbonds_4.inp
water_massive.inp
nh3_4x6_fixd.inp
nh3_4x6_ext.inp
nh3_r4x6_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
interface.inp
nh3_fixd_x.inp
nh3_fixd_xy.inp
nh3_fixd_y.inp
nh3_fixd_z.inp
nptf_ortho.inp
# numerics
nptf_ortho_screen.inp
# Atomic energy and stress properties 
water_3_dist_inter2.inp
# Atomic energy and stress properties 
H2O-constr_1_ext.inp
# improved BFGS and CELL_OPT, new defaults
argon_opt_cell.inp
# improved BFGS and CELL_OPT, new defaults
argon_opt_cell_ks.inp
# improved BFGS and CELL_OPT, new defaults
Si_tersoff.inp
# Numerics 
Si_tersoff.inp
# stabilize BFGS with model Hessian 
argon_opt_cell.inp
# stabilize BFGS with model Hessian 
argon_opt_cell_ks.inp
# stabilize BFGS with model Hessian 
Si_tersoff.inp
# more numerics
Si_tersoff.inp
argon_opt_cell.inp
argon_opt_cell_ks.inp
# BFGS fix atoms parallel bug fix + tiny improvement 
argon_opt_cell.inp
# BFGS fix atoms parallel bug fix + tiny improvement 
argon_opt_cell_ks.inp
# BFGS fix atoms parallel bug fix + tiny improvement 
Si_tersoff.inp
#  
water32_hbonds_3.inp
#  
water32_hbonds_4.inp
#  
Si_tersoff.inp
#  
Si_tersoff.inp
#improvement of bfgs and curvy steps
argon_opt_cell.inp
#improvement of bfgs and curvy steps
argon_opt_cell_ks.inp
#improvement of bfgs and curvy steps
Si_tersoff.inp
