# Enter input files to reset
he-gapw-1.inp
h2o-gapw-1.inp
ch4-gapw-1.inp
o2-gapw-uks-1.inp
he-gapw-no-soft-1.inp
#
he-gapw-1.inp
h2o-gapw-1.inp
ch4-gapw-1.inp
o2-gapw-uks-1.inp
#
h2o-gapw-1.inp
ch4-gapw-1.inp
o2-gapw-uks-1.inp
#
o2-gapw-uks-1.inp
#
o2-gapw-uks-1.inp
#  
h2o-gapw-1.inp
#  
ch4-gapw-1.inp
#  
o2-gapw-uks-1.inp
#  
h2o-gapw-1.inp
#  
ch4-gapw-1.inp
#  
o2-gapw-uks-1.inp
#  
h2o-gapw-1.inp
#  
ch4-gapw-1.inp
#  
o2-gapw-uks-1.inp
#  
he-gapw-1.inp
#  
h2o-gapw-1.inp
#  
ch4-gapw-1.inp
#  
o2-gapw-uks-1.inp
#  
he-gapw-1.inp
#  
h2o-gapw-1.inp
#  
ch4-gapw-1.inp
#  
o2-gapw-uks-1.inp
# CODATA 2006
ch4-gapw-1.inp
h2o-gapw-1.inp
he-gapw-1.inp
he-gapw-no-soft-1.inp
o2-gapw-uks-1.inp
#  
o2-gapw-uks-1.inp
ch4-gapw-1.inp
h2o-gapw-1.inp
he-gapw-1.inp
he-gapw-no-soft-1.inp
o2-gapw-uks-1.inp
#
ch4-gapw-1.inp
h2o-gapw-1.inp
he-gapw-1.inp
he-gapw-no-soft-1.inp
o2-gapw-uks-1.inp
#
c2h2_list-1.inp
no_list-1.inp
#
c2h2_list-1.inp
# constant rootpi corrected 
h2o-gapw-1.inp
ch4-gapw-1.inp
o2-gapw-uks-1.inp
c2h2_list-1.inp
no_list-1.inp
#  
h2o-gapw-1.inp
#  
ch4-gapw-1.inp
#  
o2-gapw-uks-1.inp
#  
c2h2_list-1.inp
#  
no_list-1.inp
#  
h2o-gapw-1.inp
#  
ch4-gapw-1.inp
#  
o2-gapw-uks-1.inp
#  
c2h2_list-1.inp
#  
no_list-1.inp
#
ch4-gapw-1.inp
# unified cube_center 
h2o-gapw-1.inp
# unified cube_center 
ch4-gapw-1.inp
# unified cube_center 
no_list-1.inp
#
he-gapw-1.inp
h2o-gapw-1.inp
ch4-gapw-1.inp
o2-gapw-uks-1.inp
he-gapw-no-soft-1.inp
c2h2_list-1.inp
no_list-1.inp
#
he-gapw-1.inp
h2o-gapw-1.inp
ch4-gapw-1.inp
o2-gapw-uks-1.inp
he-gapw-no-soft-1.inp
c2h2_list-1.inp
no_list-1.inp
# New initial guess ATOMIC 
he-gapw-1.inp
# New initial guess ATOMIC 
h2o-gapw-1.inp
# New initial guess ATOMIC 
ch4-gapw-1.inp
# New initial guess ATOMIC 
o2-gapw-uks-1.inp
# New initial guess ATOMIC 
he-gapw-no-soft-1.inp
# New initial guess ATOMIC 
c2h2_list-1.inp
# New initial guess ATOMIC 
no_list-1.inp
#
h2o-gapw-1.inp
ch4-gapw-1.inp
o2-gapw-uks-1.inp
c2h2_list-1.inp
no_list-1.inp
# GAPW code rewrite 
h2o-gapw-1.inp
# GAPW code rewrite 
ch4-gapw-1.inp
# GAPW code rewrite 
o2-gapw-uks-1.inp
# GAPW code rewrite 
he-gapw-no-soft-1.inp
# GAPW code rewrite 
c2h2_list-1.inp
# GAPW code rewrite 
no_list-1.inp
# replace matmul by dgemm 
h2o-gapw-1.inp
# replace matmul by dgemm 
c2h2_list-1.inp
#  
o2-gapw-uks-1.inp
#  
no_list-1.inp
#
h2o-gapw-1.inp
ch4-gapw-1.inp
o2-gapw-uks-1.inp
c2h2_list-1.inp
no_list-1.inp
# FFTW changes 
h2o-gapw-1.inp
# FFTW changes 
o2-gapw-uks-1.inp
# FFTW changes 
c2h2_list-1.inp
# FFTW changes 
no_list-1.inp
#  
o2-gapw-uks-1.inp
ch4-gapw-1.inp
h2o-gapw-1.inp
c2h2_list-1.inp
#  
ch4-gapw-1.inp
#  
h2o-gapw-1.inp
#  
ch4-gapw-1.inp
#  
o2-gapw-uks-1.inp
#  
c2h2_list-1.inp
#  
no_list-1.inp
#
h2o-gapw-1.inp
o2-gapw-uks-1.inp
c2h2_list-1.inp
no_list-1.inp
# speedup projection
h2o-gapw-1.inp
# speedup projection
ch4-gapw-1.inp
# speedup projection
o2-gapw-uks-1.inp
# speedup projection
c2h2_list-1.inp
# speedup projection
no_list-1.inp
# GAPW rewrite 2nd step 
h2o-gapw-1.inp
# GAPW rewrite 2nd step 
o2-gapw-uks-1.inp
# GAPW rewrite 2nd step 
c2h2_list-1.inp
# GAPW rewrite 2nd step 
no_list-1.inp
# Refactoring of qs_core_hamiltonian 
h2o-gapw-1.inp
# Refactoring of qs_core_hamiltonian 
o2-gapw-uks-1.inp
# Refactoring of qs_core_hamiltonian 
c2h2_list-1.inp
# Refactoring of qs_core_hamiltonian 
no_list-1.inp
# updated all electron integrals 
h2o-gapw-1.inp
# updated all electron integrals 
o2-gapw-uks-1.inp
# updated all electron integrals 
c2h2_list-1.inp
# updated all electron integrals 
no_list-1.inp
# reduced precision
he-gapw-1.inp
# reduced precision
h2o-gapw-1.inp
# reduced precision
ch4-gapw-1.inp
# reduced precision
o2-gapw-uks-1.inp
# reduced precision
he-gapw-no-soft-1.inp
# reduced precision
c2h2_list-1.inp
# reduced precision
no_list-1.inp
# selected states
o2-gapw-uks-1.inp
# merged linres and ot preconditioner
h2o-gapw-1.inp
# merged linres and ot preconditioner
o2-gapw-uks-1.inp
# merged linres and ot preconditioner
no_list-1.inp
# merged linres and ot preconditioner
h2o-no2-selected-states-1.inp
# merged linres and ot preconditioner
w2_3-selected-states-1.inp
# spherical harmonics reduce mem usage
o2-gapw-uks-1.inp
# spherical harmonics reduce mem usage
c2h2_list-1.inp
# spherical harmonics reduce mem usage
o2-gapw-uks-restart-1.inp
# 
no_list-1.inp
#syevd
o2-gapw-uks-1.inp
c2h2_list-1.inp
o2-gapw-uks-restart-1.inp 
no_list-1.inp
# reduce memory need for chi
w2_3-selected-states-2.inp
#
he-gapw-no-soft-1.inp
# GAPW memory reduction
o2-gapw-uks-1.inp
no_list-1.inp
o2-gapw-uks-restart-1.inp
# Whittaker function
c2h2_list-1.inp
# FFTW3 now plans to use SSE by default 
o2-gapw-uks-1.inp
# FFTW3 now plans to use SSE by default 
c2h2_list-1.inp
# FFTW3 now plans to use SSE by default 
no_list-1.inp
# FFTW3 now plans to use SSE by default 
o2-gapw-uks-restart-1.inp
# slight change in initial guess atomic
o2-gapw-uks-4.inp
# slight change in initial guess atomic
o2-gapw-uks-1.inp
no_list-1.inp
o2-gapw-uks-restart-1.inp
#
no_list-1.inp
#
o2-gapw-uks-1.inp
#
o2-gapw-uks-restart-1.inp
#
o2-gapw-uks-1.inp
o2-gapw-uks-restart-1.inp
# changed eps to 1e-6
h2o-gapw-1.inp
# changed eps to 1e-6
ch4-gapw-1.inp
# changed eps to 1e-6
o2-gapw-uks-1.inp
# changed eps to 1e-6
c2h2_list-1.inp
# changed eps to 1e-6
ch4-gapw-restart-1.inp
# changed eps to 1e-6
o2-gapw-uks-restart-1.inp
# turned on dbcsr_multiply_fm_fm_t
o2-gapw-uks-1.inp
# turned on dbcsr_multiply_fm_fm_t
o2-gapw-uks-restart-1.inp
# more to reset
c2h2_list-1.inp
# fm to dbcsr
o2-gapw-uks-1.inp
# fm to dbcsr
o2-gapw-uks-restart-1.inp
# atomic code: unrestricted calculations 
o2-gapw-uks-1.inp
# atomic code: unrestricted calculations 
o2-gapw-uks-restart-1.inp
# numerics
no_list-1.inp
# Numerics differences due to different distribution 
c2h2_list-1.inp
# Numerics introduced by major QS refactoring 
c2h2_list-1.inp
# reset after merge of qs refactoring branch merge 
o2-gapw-uks-1.inp
# reset after merge of qs refactoring branch merge 
no_list-1.inp
# reset after merge of qs refactoring branch merge 
o2-gapw-uks-restart-1.inp
#  
h2o-gapw-1.inp
#  
ch4-gapw-1.inp
#  
o2-gapw-uks-1.inp
#  
c2h2_list-1.inp
#  
h2o-no2-selected-states-1.inp
#  
h2o-no2-selected-states-2.inp
#  
w2_3-selected-states-1.inp
#  
w2_3-selected-states-2.inp
#  
ch4-gapw-restart-1.inp
#  
o2-gapw-uks-restart-1.inp
# reset numerics
c2h2_list-1.inp
# more numerics
o2-gapw-uks-1.inp
o2-gapw-uks-restart-1.inp
#  
o2-gapw-uks-1.inp
#  
no_list-1.inp
#  
o2-gapw-uks-restart-1.inp
#  
c2h2_list-1.inp
#do not accumulate shift in outer scf preconditioner
h2o-no2-selected-states-1.inp
#improvements to full_single inverse
h2o-no2-selected-states-1.inp
new defaults for preconditioner
h2o-no2-selected-states-1.inp
#fix for generalized arnoldi ev
h2o-no2-selected-states-1.inp
