# Enter input files to reset
#  
h2o-gapw-1.inp
#  
h2o-gapw-2.inp
#  
h2o-gapw-3.inp
#  
o2-gapw-uks-1.inp
#  
o2-gapw-uks-2.inp
#  
o2-gapw-uks-3.inp
#  
h2o-gapw-1.inp
#  
h2o-gapw-2.inp
#  
h2o-gapw-3.inp
#  
o2-gapw-uks-1.inp
#  
o2-gapw-uks-2.inp
#  
o2-gapw-uks-3.inp
#  
h2o-gapw-1.inp
#  
h2o-gapw-2.inp
#  
h2o-gapw-3.inp
#  
o2-gapw-uks-1.inp
#  
o2-gapw-uks-2.inp
#  
o2-gapw-uks-3.inp
#  
h2o-gapw-1.inp
#  
h2o-gapw-2.inp
#  
h2o-gapw-3.inp
#  
o2-gapw-uks-1.inp
#  
o2-gapw-uks-2.inp
#  
o2-gapw-uks-3.inp
#  
h2o-gapw-1.inp
#  
h2o-gapw-2.inp
#  
h2o-gapw-3.inp
#  
o2-gapw-uks-1.inp
#  
o2-gapw-uks-2.inp
#  
o2-gapw-uks-3.inp
# CODATA 2006
h2o-gapw-1.inp
h2o-gapw-2.inp
h2o-gapw-3.inp
o2-gapw-uks-1.inp
o2-gapw-uks-2.inp
o2-gapw-uks-3.inp
#  
o2-gapw-uks-1.inp
#  
o2-gapw-uks-2.inp
#  
o2-gapw-uks-3.inp
h2o-gapw-1.inp
h2o-gapw-2.inp
h2o-gapw-3.inp
o2-gapw-uks-1.inp
o2-gapw-uks-2.inp
o2-gapw-uks-3.inp
#
h2o-gapw-1.inp
h2o-gapw-2.inp
h2o-gapw-3.inp
o2-gapw-uks-1.inp
o2-gapw-uks-2.inp
o2-gapw-uks-3.inp
# constant rootpi corrected 
h2o-gapw-1.inp
h2o-gapw-2.inp
h2o-gapw-3.inp
o2-gapw-uks-1.inp
o2-gapw-uks-2.inp
o2-gapw-uks-3.inp
#  
h2o-gapw-1.inp
#  
h2o-gapw-2.inp
#  
h2o-gapw-3.inp
#  
o2-gapw-uks-1.inp
#  
o2-gapw-uks-2.inp
#  
o2-gapw-uks-3.inp
#  
h2o-gapw-1.inp
#  
h2o-gapw-2.inp
#  
h2o-gapw-3.inp
#  
o2-gapw-uks-1.inp
#  
o2-gapw-uks-2.inp
#  
o2-gapw-uks-3.inp
# unified cube_center 
h2o-gapw-1.inp
# unified cube_center 
h2o-gapw-2.inp
# unified cube_center 
h2o-gapw-3.inp
#
h2o-gapw-1.inp
h2o-gapw-2.inp
h2o-gapw-3.inp
o2-gapw-uks-1.inp
o2-gapw-uks-2.inp
o2-gapw-uks-3.inp
#
h2o-gapw-1.inp
h2o-gapw-2.inp
h2o-gapw-3.inp
h2o-gapw-4.inp
o2-gapw-uks-1.inp
o2-gapw-uks-2.inp
o2-gapw-uks-3.inp
o2-gapw-uks-4.inp
# ASPC reset 
h2o-gapw-4.inp
# New initial guess ATOMIC 
h2o-gapw-1.inp
# New initial guess ATOMIC 
h2o-gapw-3.inp
# New initial guess ATOMIC 
h2o-gapw-4.inp
# New initial guess ATOMIC 
o2-gapw-uks-1.inp
# New initial guess ATOMIC 
o2-gapw-uks-3.inp
# New initial guess ATOMIC 
o2-gapw-uks-4.inp
#
h2o-gapw-1.inp
h2o-gapw-3.inp
h2o-gapw-4.inp
o2-gapw-uks-1.inp
o2-gapw-uks-3.inp
o2-gapw-uks-4.inp
# GAPW code rewrite 
h2o-gapw-1.inp
# GAPW code rewrite 
h2o-gapw-3.inp
# GAPW code rewrite 
h2o-gapw-4.inp
# GAPW code rewrite 
o2-gapw-uks-1.inp
# GAPW code rewrite 
o2-gapw-uks-3.inp
# GAPW code rewrite 
o2-gapw-uks-4.inp
# replace matmul by dgemm 
h2o-gapw-1.inp
# replace matmul by dgemm 
h2o-gapw-3.inp
#  
h2o-gapw-4.inp
#  
o2-gapw-uks-1.inp
#  
o2-gapw-uks-3.inp
#  
o2-gapw-uks-4.inp
#
h2o-gapw-1.inp
h2o-gapw-3.inp
h2o-gapw-4.inp
o2-gapw-uks-1.inp
o2-gapw-uks-3.inp
o2-gapw-uks-4.inp
# FFTW changes 
h2o-gapw-1.inp
# FFTW changes 
h2o-gapw-3.inp
# FFTW changes 
o2-gapw-uks-1.inp
# FFTW changes 
o2-gapw-uks-3.inp
# FFTW changes 
o2-gapw-uks-4.inp
#
h2o-gapw-1.inp
h2o-gapw-3.inp
h2o-gapw-4.inp
o2-gapw-uks-1.inp
o2-gapw-uks-3.inp
o2-gapw-uks-4.inp
#  
h2o-gapw-4.inp
#  
h2o-gapw-1.inp
#  
h2o-gapw-3.inp
#  
h2o-gapw-4.inp
#  
o2-gapw-uks-1.inp
#  
o2-gapw-uks-3.inp
#  
o2-gapw-uks-4.inp
#
h2o-gapw-1.inp
h2o-gapw-3.inp
o2-gapw-uks-1.inp
o2-gapw-uks-3.inp
o2-gapw-uks-4.inp
# speedup projection
h2o-gapw-1.inp
# speedup projection
h2o-gapw-3.inp
# speedup projection
h2o-gapw-4.inp
# speedup projection
o2-gapw-uks-1.inp
# GAPW rewrite 2nd step 
h2o-gapw-1.inp
# GAPW rewrite 2nd step 
h2o-gapw-3.inp
# GAPW rewrite 2nd step 
h2o-gapw-4.inp
# GAPW rewrite 2nd step 
o2-gapw-uks-1.inp
# GAPW rewrite 2nd step 
o2-gapw-uks-3.inp
# GAPW rewrite 2nd step 
o2-gapw-uks-4.inp
# Refactoring of qs_core_hamiltonian 
h2o-gapw-1.inp
# Refactoring of qs_core_hamiltonian 
h2o-gapw-3.inp
# Refactoring of qs_core_hamiltonian 
o2-gapw-uks-1.inp
# Refactoring of qs_core_hamiltonian 
o2-gapw-uks-3.inp
# Refactoring of qs_core_hamiltonian 
o2-gapw-uks-4.inp
h2o-gapw-4.inp
# updated all electron integrals 
h2o-gapw-1.inp
# updated all electron integrals 
h2o-gapw-3.inp
# updated all electron integrals 
h2o-gapw-4.inp
# updated all electron integrals 
o2-gapw-uks-1.inp
# updated all electron integrals 
o2-gapw-uks-3.inp
# updated all electron integrals 
o2-gapw-uks-4.inp
# reduced precision
h2o-gapw-1.inp
# reduced precision
h2o-gapw-3.inp
# reduced precision
h2o-gapw-4.inp
# reduced precision
o2-gapw-uks-1.inp
# reduced precision
o2-gapw-uks-3.inp
# reduced precision
o2-gapw-uks-4.inp
# selected states
o2-gapw-uks-1.inp
# selected states
o2-gapw-uks-3.inp
# selected states
o2-gapw-uks-4.inp
# merged linres and ot preconditioner
h2o-gapw-1.inp
# merged linres and ot preconditioner
h2o-gapw-3.inp
# merged linres and ot preconditioner
h2o-gapw-4.inp
# merged linres and ot preconditioner
o2-gapw-uks-1.inp
# merged linres and ot preconditioner
o2-gapw-uks-3.inp
# spherical harmonics reduce mem usage
o2-gapw-uks-1.inp
# spherical harmonics reduce mem usage
o2-gapw-uks-3.inp
# spherical harmonics reduce mem usage
o2-gapw-uks-4.inp
# syevd
o2-gapw-uks-1.inp
o2-gapw-uks-3.inp
o2-gapw-uks-4.inp
# GAPW memory reduction
o2-gapw-uks-1.inp
o2-gapw-uks-3.inp
o2-gapw-uks-4.inp
# FFTW3 now plans to use SSE by default 
o2-gapw-uks-1.inp
# FFTW3 now plans to use SSE by default 
o2-gapw-uks-3.inp
# slight change in initial guess atomic
no_list-1.inp
# slight change in initial guess atomic
o2-gapw-uks-1.inp
o2-gapw-uks-3.inp
# 
o2-gapw-uks-4.inp
#
o2-gapw-uks-1.inp
#
o2-gapw-uks-3.inp
#
o2-gapw-uks-4.inp
#
o2-gapw-uks-1.inp
o2-gapw-uks-3.inp
# changed eps to 1e-6
h2o-gapw-1.inp
# changed eps to 1e-6
h2o-gapw-3.inp
# changed eps to 1e-6
h2o-gapw-4.inp
# changed eps to 1e-6
o2-gapw-uks-1.inp
# changed eps to 1e-6
o2-gapw-uks-3.inp
# changed eps to 1e-6
o2-gapw-uks-4.inp
# turned on dbcsr_multiply_fm_fm_t
o2-gapw-uks-1.inp
# turned on dbcsr_multiply_fm_fm_t
o2-gapw-uks-3.inp
# turned on dbcsr_multiply_fm_fm_t
o2-gapw-uks-4.inp
# fm to dbcsr
o2-gapw-uks-1.inp
# fm to dbcsr
o2-gapw-uks-3.inp
# fm to dbcsr
o2-gapw-uks-4.inp
# atomic code: unrestricted calculations 
o2-gapw-uks-1.inp
# atomic code: unrestricted calculations 
o2-gapw-uks-3.inp
# atomic code: unrestricted calculations 
o2-gapw-uks-4.inp
# Numerics introduced by major QS refactoring 
o2-gapw-uks-4.inp
# reset after merge of qs refactoring branch merge 
o2-gapw-uks-1.inp
# reset after merge of qs refactoring branch merge 
o2-gapw-uks-3.inp
# numerics more compilers..
H2O-32-dftb-ls-2.inp
N3-4.inp
extrap-7.inp
CO_xastpfh.inp
c8_pmix_gapw_all_xashh.inp
c8_pmix_gapw_all.inp
o2-gapw-uks-4.inp
O2.inp
si8_pulay_md.inp
si8_broy_stm.inp
si8_pulay_off.inp
si8_broy_kry.inp
si8_broy_kry_r.inp
si8_pulay_reduce.inp
si8_pmix_otdiag.inp
si8_kerker.inp
si8_pulay_restore.inp
si8_pulay_inverse.inp
si8_pulay.inp
no-gapw-issc-1.inp
NO2-EFG-1.inp
H2O-meta_hydro.inp
CO_xastpxhh_loclist.inp
CO_xastpxhh.inp
CO_xastpxfh.inp
c8_kerker_gapw.inp
si8_noort_broy_wc_jacobi_ene1.inp
c8_broy_gop.inp
c8_broy_gapw.inp
c8_broy.inp
c8_broy_gapw_gop.inp
acn-conn-1.inp
Si_tersoff_qmmm.inp
stp6.inp
st.inp
Pt-cis-2xpet3Cl2-si-noc.inp
stp5.inp
md.inp
stp1.inp
Pt-cis-2xpet3Cl2.inp
stp2.inp
Pt-cis-2xpet3Cl2-si.inp
ice-scp-ewald_gks.inp
st.inp
LM-KSDO-D.inp
wfn_ex3.inp
LM-KSDO.inp
Al2O3.inp
#  
h2o-gapw-1.inp
#  
h2o-gapw-3.inp
#  
h2o-gapw-4.inp
#  
o2-gapw-uks-1.inp
#  
o2-gapw-uks-4.inp
#
o2-gapw-uks-3.inp
# more numerics
o2-gapw-uks-1.inp
o2-gapw-uks-3.inp
o2-gapw-uks-4.inp
#  
o2-gapw-uks-1.inp
#  
o2-gapw-uks-3.inp
#  
o2-gapw-uks-4.inp
