# 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
