#change in numerics
hcn_md.inp.out
hcn_meta_coord.inp.out
#change in numerics
hcn_meta_chaincoord.inp.out
hcn_meta_chaincoord_kind.inp.out
#  
hcn_md.inp
#  
hcn_meta_coord.inp
#  
hcn_meta_chaincoord.inp
#  
hcn_meta_chaincoord_kind.inp
#do not accumulate shift in outer scf preconditioner
hcn_ts.inp
hcn_ts_r.inp
#do not accumulate shift in outer scf preconditioner
hcn_md.inp
#do not accumulate shift in outer scf preconditioner
hcn_meta_coord.inp
#do not accumulate shift in outer scf preconditioner
hcn_meta_chaincoord.inp
#do not accumulate shift in outer scf preconditioner
hcn_meta_chaincoord_kind.inp
#do not accumulate shift in outer scf preconditioner
Au13ico_mtd.inp
#do not accumulate shift in outer scf preconditioner
Au12_rmsd_AB_mtd.inp
Au12_rmsd_A_mtd.inp
# change energy gap to something reasonable as meaning for sull single inverse changed
Au12_rmsd_AB_mtd.inp     
Au12_rmsd_A_mtd.inp     
Au13ico_mtd.inp
#improvements to full_single inverse
hcn_ts.inp
hcn_ts_r.inp
hcn_md.inp
#improvements to full_single inverse
hcn_meta_coord.inp
hcn_meta_chaincoord.inp
hcn_meta_chaincoord_kind.inp
reset tests for vector transfer
hcn_ts.inp
hcn_ts_r.inp
hcn_md.inp
hcn_meta_coord.inp
hcn_meta_chaincoord.inp
hcn_meta_chaincoord_kind.inp
reset tests for vector transfer
Au13ico_mtd.inp
Au12_rmsd_AB_mtd.inp
Au12_rmsd_A_mtd.inp
new defaults for preconditioner
hcn_ts.inp
hcn_ts_r.inp
hcn_md.inp
hcn_meta_coord.inp
hcn_meta_chaincoord.inp
hcn_meta_chaincoord_kind.inp
H2O_meta_pop.inp
H2O_meta_langevin.inp
Au13ico_mtd.inp
Au12_rmsd_AB_mtd.inp
Au12_rmsd_A_mtd.inp
#reset for new defaults
H2O_meta_pop.inp
H2O_meta_langevin.inp
#fix for generalized arnoldi ev
hcn_ts.inp
hcn_ts_r.inp
hcn_md.inp
hcn_meta_coord.inp
hcn_meta_chaincoord.inp
hcn_meta_chaincoord_kind.inp
Au13ico_mtd.inp
Au12_rmsd_AB_mtd.inp
Au12_rmsd_A_mtd.inp
