# Enter input files to reset
#  
ch4-gapw-gpw-1.inp
#  
no-gapw-gpw-1.inp
# eps0 
w2_qmmm-1.inp
w2_qmmm-2.inp
w2_qmmm-3.inp
# eps0 removed 
w2_qmmm-1.inp
w2_qmmm-2.inp
w2_qmmm-3.inp
# constant rootpi corrected 
ch4-gapw-1.inp
ch4-gapw-2.inp
ch4-gapw-3.inp
ch4-gapw-4.inp
no-gapw-1.inp
no-gapw-2.inp
no-gapw-3.inp
no-gapw-4.inp
ch4-gapw-1-distributed.inp
ch4-gapw-1-replicated.inp
no-gapw-1-distributed.inp
no-gapw-1-replicated.inp
w2_qmmm-1.inp
w2_qmmm-2.inp
w2_qmmm-3.inp
ch4-gapw-gpw-1.inp
no-gapw-gpw-1.inp
h2-gapw-1.inp
#  
ch4-gapw-1.inp
#  
ch4-gapw-2.inp
#  
ch4-gapw-3.inp
#  
ch4-gapw-4.inp
#  
no-gapw-1.inp
#  
no-gapw-2.inp
#  
no-gapw-3.inp
#  
no-gapw-4.inp
#  
ch4-gapw-1-distributed.inp
#  
ch4-gapw-1-replicated.inp
#  
no-gapw-1-distributed.inp
#  
no-gapw-1-replicated.inp
#  
w2_qmmm-1.inp
#  
w2_qmmm-2.inp
#  
w2_qmmm-3.inp
#  
ch4-gapw-gpw-1.inp
#  
no-gapw-gpw-1.inp
#  
ch4-gapw-1.inp
#  
ch4-gapw-2.inp
#  
ch4-gapw-3.inp
#  
ch4-gapw-4.inp
#  
no-gapw-1.inp
#  
no-gapw-2.inp
#  
no-gapw-3.inp
#  
no-gapw-4.inp
#  
ch4-gapw-1-distributed.inp
#  
ch4-gapw-1-replicated.inp
#  
no-gapw-1-distributed.inp
#  
no-gapw-1-replicated.inp
#  
w2_qmmm-1.inp
#  
w2_qmmm-2.inp
#  
w2_qmmm-3.inp
#  
ch4-gapw-gpw-1.inp
#  
no-gapw-gpw-1.inp
# bug fix for not paw atoms
ch4-gapw-1.inp
ch4-gapw-2.inp
ch4-gapw-3.inp
ch4-gapw-4.inp
ch4-gapw-1-distributed.inp
ch4-gapw-1-replicated.inp
h2-gapw-1.inp
w2_qmmm-1.inp
w2_qmmm-2.inp
w2_qmmm-3.inp
#  
ch4-gapw-1-distributed.inp
ch4-gapw-1-distributed.inp
#  
no-gapw-gpw-1.inp
# more numerics ppnl
ch4-gapw-gpw-1.inp
# unified cube_center 
ch4-gapw-1.inp
# unified cube_center 
ch4-gapw-2.inp
# unified cube_center 
ch4-gapw-3.inp
# unified cube_center 
ch4-gapw-4.inp
# unified cube_center 
no-gapw-1.inp
# unified cube_center 
no-gapw-2.inp
# unified cube_center 
no-gapw-3.inp
# unified cube_center 
no-gapw-4.inp
# unified cube_center 
ch4-gapw-1-distributed.inp
# unified cube_center 
ch4-gapw-1-replicated.inp
# unified cube_center 
no-gapw-1-distributed.inp
# unified cube_center 
no-gapw-1-replicated.inp
# numerics
w2_qmmm-1.inp
w2_qmmm-2.inp
w2_qmmm-3.inp
#
ch4-gapw-1.inp
ch4-gapw-2.inp
ch4-gapw-3.inp
ch4-gapw-4.inp
no-gapw-1.inp
no-gapw-2.inp
no-gapw-3.inp
no-gapw-4.inp
ch4-gapw-1-distributed.inp
ch4-gapw-1-replicated.inp
no-gapw-1-distributed.inp
no-gapw-1-replicated.inp
w2_qmmm-1.inp
w2_qmmm-2.inp
w2_qmmm-3.inp
ch4-gapw-gpw-1.inp
no-gapw-gpw-1.inp
#
ch4-gapw-1.inp
ch4-gapw-2.inp
ch4-gapw-3.inp
ch4-gapw-4.inp
no-gapw-1.inp
no-gapw-2.inp
no-gapw-3.inp
no-gapw-4.inp
ch4-gapw-1-distributed.inp
ch4-gapw-1-replicated.inp
no-gapw-1-distributed.inp
no-gapw-1-replicated.inp
w2_qmmm-1.inp
w2_qmmm-2.inp
w2_qmmm-3.inp
ch4-gapw-gpw-1.inp
no-gapw-gpw-1.inp
# ASPC reset 
w2_qmmm-1.inp
# ASPC reset 
w2_qmmm-2.inp
# ASPC reset 
w2_qmmm-3.inp
#NL PP rewrite 
ch4-gapw-gpw-1.inp 
no-gapw-gpw-1.inp 
# New initial guess ATOMIC 
ch4-gapw-1.inp
# New initial guess ATOMIC 
ch4-gapw-2.inp
# New initial guess ATOMIC 
ch4-gapw-3.inp
# New initial guess ATOMIC 
ch4-gapw-4.inp
# New initial guess ATOMIC 
ch4-gapw-5.inp
# New initial guess ATOMIC 
no-gapw-1.inp
# New initial guess ATOMIC 
no-gapw-2.inp
# New initial guess ATOMIC 
no-gapw-3.inp
# New initial guess ATOMIC 
no-gapw-4.inp
# New initial guess ATOMIC 
no-gapw-5.inp
# New initial guess ATOMIC 
ch4-gapw-1-distributed.inp
# New initial guess ATOMIC 
ch4-gapw-1-replicated.inp
# New initial guess ATOMIC 
no-gapw-1-distributed.inp
# New initial guess ATOMIC 
no-gapw-1-replicated.inp
# New initial guess ATOMIC 
w2_qmmm-1.inp
# New initial guess ATOMIC 
w2_qmmm-2.inp
# New initial guess ATOMIC 
w2_qmmm-3.inp
# New initial guess ATOMIC 
ch4-gapw-gpw-1.inp
# New initial guess ATOMIC 
no-gapw-gpw-1.inp
# New initial guess ATOMIC 
h2-gapw-1.inp
# New initial guess ATOMIC 
ch3m-gapw-1.inp
# New initial guess ATOMIC 
ch3p-gapw-1.inp
#
ch4-gapw-1.inp
ch4-gapw-2.inp
ch4-gapw-3.inp
ch4-gapw-4.inp
ch4-gapw-5.inp
no-gapw-1.inp
no-gapw-2.inp
no-gapw-3.inp
no-gapw-4.inp
no-gapw-5.inp
ch4-gapw-1-distributed.inp
ch4-gapw-1-replicated.inp
no-gapw-1-distributed.inp
no-gapw-1-replicated.inp
w2_qmmm-1.inp
w2_qmmm-2.inp
w2_qmmm-3.inp
ch4-gapw-gpw-1.inp
no-gapw-gpw-1.inp
h2-gapw-1.inp
ch3m-gapw-1.inp
ch3p-gapw-1.inp
# GAPW code rewrite 
ch4-gapw-1.inp
# GAPW code rewrite 
ch4-gapw-2.inp
# GAPW code rewrite 
ch4-gapw-3.inp
# GAPW code rewrite 
ch4-gapw-4.inp
# GAPW code rewrite 
ch4-gapw-5.inp
# GAPW code rewrite 
no-gapw-1.inp
# GAPW code rewrite 
no-gapw-2.inp
# GAPW code rewrite 
no-gapw-3.inp
# GAPW code rewrite 
no-gapw-4.inp
# GAPW code rewrite 
no-gapw-5.inp
# GAPW code rewrite 
ch4-gapw-1-distributed.inp
# GAPW code rewrite 
ch4-gapw-1-replicated.inp
# GAPW code rewrite 
no-gapw-1-distributed.inp
# GAPW code rewrite 
no-gapw-1-replicated.inp
# GAPW code rewrite 
w2_qmmm-1.inp
# GAPW code rewrite 
w2_qmmm-2.inp
# GAPW code rewrite 
w2_qmmm-3.inp
# GAPW code rewrite 
ch4-gapw-gpw-1.inp
# GAPW code rewrite 
no-gapw-gpw-1.inp
# GAPW code rewrite 
ch3m-gapw-1.inp
# GAPW code rewrite 
ch3p-gapw-1.inp
# replace matmul by dgemm 
no-gapw-5.inp
# replace matmul by dgemm 
w2_qmmm-1.inp
# replace matmul by dgemm 
w2_qmmm-2.inp
# replace matmul by dgemm 
w2_qmmm-3.inp
#  
ch4-gapw-5.inp
#  
no-gapw-1.inp
#  
no-gapw-2.inp
#  
no-gapw-3.inp
#  
no-gapw-4.inp
#  
no-gapw-1-distributed.inp
#  
no-gapw-1-replicated.inp
#  
no-gapw-gpw-1.inp
#  
ch3p-gapw-1.inp
#
ch4-gapw-1.inp
ch4-gapw-2.inp
ch4-gapw-3.inp
ch4-gapw-4.inp
ch4-gapw-5.inp
no-gapw-1.inp
no-gapw-2.inp
no-gapw-3.inp
no-gapw-4.inp
no-gapw-5.inp
ch4-gapw-1-distributed.inp
ch4-gapw-1-replicated.inp
no-gapw-1-distributed.inp
no-gapw-1-replicated.inp
w2_qmmm-1.inp
w2_qmmm-2.inp
w2_qmmm-3.inp
ch4-gapw-gpw-1.inp
no-gapw-gpw-1.inp
ch3m-gapw-1.inp
ch3p-gapw-1.inp
# FFTW changes 
no-gapw-1.inp
# FFTW changes 
no-gapw-2.inp
# FFTW changes 
no-gapw-3.inp
# FFTW changes 
no-gapw-4.inp
# FFTW changes 
no-gapw-5.inp
# FFTW changes 
no-gapw-1-distributed.inp
# FFTW changes 
no-gapw-1-replicated.inp
# FFTW changes 
w2_qmmm-1.inp
# FFTW changes 
w2_qmmm-2.inp
# FFTW changes 
w2_qmmm-3.inp
# FFTW changes 
no-gapw-gpw-1.inp
# FFTW changes 
h2-gapw-1.inp
#
ch4-gapw-1.inp
ch4-gapw-3.inp
ch4-gapw-4.inp
no-gapw-4.inp
ch4-gapw-1-distributed.inp
ch4-gapw-1-replicated.inp
w2_qmmm-1.inp
w2_qmmm-2.inp
#  
ch4-gapw-1.inp
#  
ch4-gapw-3.inp
#  
ch4-gapw-4.inp
#  
ch4-gapw-1-distributed.inp
#  
ch4-gapw-1-replicated.inp
#  
ch4-gapw-1.inp
#  
ch4-gapw-3.inp
#  
ch4-gapw-4.inp
#  
no-gapw-1.inp
#  
no-gapw-2.inp
#  
no-gapw-3.inp
#  
no-gapw-4.inp
#  
no-gapw-5.inp
#  
ch4-gapw-1-distributed.inp
#  
ch4-gapw-1-replicated.inp
#  
no-gapw-1-distributed.inp
#  
no-gapw-1-replicated.inp
#  
w2_qmmm-1.inp
#  
w2_qmmm-2.inp
#  
w2_qmmm-3.inp
#  
no-gapw-gpw-1.inp
#  
h2-gapw-1.inp
#
no-gapw-1.inp
no-gapw-2.inp
no-gapw-3.inp
no-gapw-4.inp
no-gapw-5.inp
no-gapw-1-distributed.inp
no-gapw-1-replicated.inp
w2_qmmm-1.inp
w2_qmmm-2.inp
w2_qmmm-3.inp
no-gapw-gpw-1.inp
ch3m-gapw-1.inp
# speedup projection
ch4-gapw-1.inp
# speedup projection
ch4-gapw-2.inp
# speedup projection
ch4-gapw-3.inp
# speedup projection
ch4-gapw-4.inp
# speedup projection
no-gapw-1.inp
# speedup projection
no-gapw-2.inp
# speedup projection
no-gapw-3.inp
# speedup projection
no-gapw-4.inp
# speedup projection
ch4-gapw-1-distributed.inp
# speedup projection
ch4-gapw-1-replicated.inp
# speedup projection
no-gapw-1-distributed.inp
# speedup projection
no-gapw-1-replicated.inp
# speedup projection
w2_qmmm-1.inp
# speedup projection
w2_qmmm-2.inp
# speedup projection
w2_qmmm-3.inp
# speedup projection
ch4-gapw-gpw-1.inp
# speedup projection
no-gapw-gpw-1.inp
# GAPW rewrite 2nd step 
ch4-gapw-5.inp
# GAPW rewrite 2nd step 
no-gapw-1.inp
# GAPW rewrite 2nd step 
no-gapw-2.inp
# GAPW rewrite 2nd step 
no-gapw-3.inp
# GAPW rewrite 2nd step 
no-gapw-4.inp
# GAPW rewrite 2nd step 
no-gapw-5.inp
# GAPW rewrite 2nd step 
no-gapw-1-distributed.inp
# GAPW rewrite 2nd step 
no-gapw-1-replicated.inp
# GAPW rewrite 2nd step 
w2_qmmm-1.inp
# GAPW rewrite 2nd step 
w2_qmmm-2.inp
# GAPW rewrite 2nd step 
w2_qmmm-3.inp
# GAPW rewrite 2nd step 
no-gapw-gpw-1.inp
# GAPW rewrite 2nd step 
ch3m-gapw-1.inp
# more numerics
h2-gapw-1.inp
# Refactoring of qs_core_hamiltonian 
no-gapw-1.inp
# Refactoring of qs_core_hamiltonian 
no-gapw-2.inp
# Refactoring of qs_core_hamiltonian 
no-gapw-3.inp
# Refactoring of qs_core_hamiltonian 
no-gapw-4.inp
# Refactoring of qs_core_hamiltonian 
no-gapw-5.inp
# Refactoring of qs_core_hamiltonian 
no-gapw-1-distributed.inp
# Refactoring of qs_core_hamiltonian 
no-gapw-1-replicated.inp
# Refactoring of qs_core_hamiltonian 
w2_qmmm-1.inp
# Refactoring of qs_core_hamiltonian 
w2_qmmm-2.inp
# Refactoring of qs_core_hamiltonian 
w2_qmmm-3.inp
# Refactoring of qs_core_hamiltonian 
no-gapw-gpw-1.inp
# Refactoring of qs_core_hamiltonian 
h2-gapw-1.inp
ch3p-gapw-1.inp
# more numerics
ch3m-gapw-1.inp
ch4-gapw-1-distributed.inp
# updated all electron integrals 
no-gapw-1.inp
# updated all electron integrals 
no-gapw-2.inp
# updated all electron integrals 
no-gapw-3.inp
# updated all electron integrals 
no-gapw-4.inp
# updated all electron integrals 
no-gapw-5.inp
# updated all electron integrals 
no-gapw-1-distributed.inp
# updated all electron integrals 
no-gapw-1-replicated.inp
# updated all electron integrals 
w2_qmmm-1.inp
# updated all electron integrals 
w2_qmmm-2.inp
# updated all electron integrals 
w2_qmmm-3.inp
# updated all electron integrals 
no-gapw-gpw-1.inp
ch4-gapw-gpw-1.inp
# numerics
ch3p-gapw-1.inp
h2-gapw-1.inp
# reduced precision
ch4-gapw-1.inp
# reduced precision
ch4-gapw-2.inp
# reduced precision
ch4-gapw-3.inp
# reduced precision
ch4-gapw-4.inp
# reduced precision
ch4-gapw-5.inp
# reduced precision
no-gapw-1.inp
# reduced precision
no-gapw-2.inp
# reduced precision
no-gapw-3.inp
# reduced precision
no-gapw-4.inp
# reduced precision
no-gapw-5.inp
# reduced precision
ch4-gapw-1-distributed.inp
# reduced precision
ch4-gapw-1-replicated.inp
# reduced precision
no-gapw-1-distributed.inp
# reduced precision
no-gapw-1-replicated.inp
# reduced precision
w2_qmmm-1.inp
# reduced precision
w2_qmmm-2.inp
# reduced precision
w2_qmmm-3.inp
# reduced precision
ch4-gapw-gpw-1.inp
# reduced precision
no-gapw-gpw-1.inp
# reduced precision
h2-gapw-1.inp
# reduced precision
ch3m-gapw-1.inp
# reduced precision
ch3p-gapw-1.inp
# selected states
no-gapw-4.inp
# merged linres and ot preconditioner
no-gapw-1.inp
# merged linres and ot preconditioner
no-gapw-2.inp
# merged linres and ot preconditioner
no-gapw-3.inp
# merged linres and ot preconditioner
no-gapw-4.inp
# merged linres and ot preconditioner
no-gapw-5.inp
# merged linres and ot preconditioner
no-gapw-1-distributed.inp
# merged linres and ot preconditioner
no-gapw-1-replicated.inp
# merged linres and ot preconditioner
w2_qmmm-1.inp
# merged linres and ot preconditioner
w2_qmmm-2.inp
# merged linres and ot preconditioner
w2_qmmm-3.inp
# merged linres and ot preconditioner
no-gapw-gpw-1.inp
#
no-gapw-gpw-1.inp
# 
no-gapw-1-distributed.inp
no-gapw-1.inp
no-gapw-1-replicated.inp
no-gapw-2.inp
no-gapw-3.inp
no-gapw-4.inp
# syevd
no-gapw-2.inp
no-gapw-3.inp
no-gapw-4.inp
no-gapw-1.inp
no-gapw-1-distributed.inp
no-gapw-1-replicated.inp
no-gapw-gpw-1.inp
# reduce memory need for chi
ch4-gapw-2.inp
# reduce memory need for chi
ch4-gapw-5.inp
# reduce memory need for chi
w2_qmmm-3.inp
# reduce memory need for chi
ch4-gapw-gpw-1.inp
# reduce memory need for chi
no-gapw-gpw-1.inp
# reduce memory need for chi
h2-gapw-1.inp
# reduce memory need for chi
ch3m-gapw-1.inp
# reduce memory need for chi
ch3p-gapw-1.inp
# bug fix self-interaction with periodic images
w2_qmmm-1.inp
w2_qmmm-2.inp
w2_qmmm-3.inp
# GAPW memory reduction
no-gapw-1.inp
no-gapw-3.inp
no-gapw-4.inp
no-gapw-1-distributed.inp
no-gapw-1-replicated.inp

# FFTW3 now plans to use SSE by default 
no-gapw-1.inp
# FFTW3 now plans to use SSE by default 
no-gapw-2.inp
# FFTW3 now plans to use SSE by default 
no-gapw-3.inp
# FFTW3 now plans to use SSE by default 
no-gapw-4.inp
# FFTW3 now plans to use SSE by default 
no-gapw-1-distributed.inp
# FFTW3 now plans to use SSE by default 
no-gapw-1-replicated.inp
# FFTW3 now plans to use SSE by default 
no-gapw-gpw-1.inp
# slight change in initial guess ATOMIC
no-gapw-1.inp
no-gapw-3.inp
no-gapw-4.inp
no-gapw-1-replicated.inp
no-gapw-gpw-1.inp
# 
no-gapw-1-distributed.inp
#
no-gapw-1.inp
#
no-gapw-3.inp
#
no-gapw-4.inp
#
no-gapw-1-distributed.inp
#
no-gapw-1-replicated.inp
#
no-gapw-gpw-1.inp
#
no-gapw-1-distributed.inp
# changed eps to 1e-6
ch4-gapw-1.inp
# changed eps to 1e-6
ch4-gapw-2.inp
# changed eps to 1e-6
ch4-gapw-3.inp
# changed eps to 1e-6
ch4-gapw-4.inp
# changed eps to 1e-6
ch4-gapw-5.inp
# changed eps to 1e-6
no-gapw-3.inp
# changed eps to 1e-6
no-gapw-4.inp
# changed eps to 1e-6
ch4-gapw-1-distributed.inp
# changed eps to 1e-6
ch4-gapw-1-replicated.inp
# changed eps to 1e-6
w2_qmmm-1.inp
# changed eps to 1e-6
w2_qmmm-2.inp
# changed eps to 1e-6
w2_qmmm-3.inp
# changed eps to 1e-6
ch3m-gapw-1.inp
# changed eps to 1e-6
ch3p-gapw-1.inp
# turned on dbcsr_multiply_fm_fm_t
no-gapw-gpw-1.inp
# fm to dbcsr
no-gapw-1-distributed.inp
# fm to dbcsr
no-gapw-gpw-1.inp
# numerics
no-gapw-1-distributed.inp
no-gapw-1.inp
no-gapw-1-replicated.inp
no-gapw-3.inp
no-gapw-4.inp
# analytic electrostatic in Fist
no-gapw-gpw-1.inp
# Numerics differences due to different distribution 
no-gapw-1-distributed.inp
# reset few regs w.r.t. several different compilers
no-gapw-2.inp
# more numerics
no-gapw-gpw-1.inp
# reset after merge of qs refactoring branch merge 
no-gapw-1.inp
# reset after merge of qs refactoring branch merge 
no-gapw-3.inp
# reset after merge of qs refactoring branch merge 
no-gapw-4.inp
# reset after merge of qs refactoring branch merge 
no-gapw-1-replicated.inp
#  
ch4-gapw-1.inp
#  
ch4-gapw-2.inp
#  
ch4-gapw-3.inp
#  
ch4-gapw-4.inp
#  
ch4-gapw-5.inp
#  
ch4-gapw-1-distributed.inp
#  
ch4-gapw-1-replicated.inp
#  
w2_qmmm-1.inp
#  
w2_qmmm-2.inp
#  
w2_qmmm-3.inp
#  
ch4-gapw-gpw-1.inp
#  
h2-gapw-1.inp
#  
ch3m-gapw-1.inp
#  
ch3p-gapw-1.inp
# reset numerics
no-gapw-1-distributed.inp
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no-gapw-1.inp
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no-gapw-3.inp
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no-gapw-4.inp
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no-gapw-1-replicated.inp
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no-gapw-gpw-1.inp
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no-gapw-1-distributed.inp
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no-gapw-1.inp
no-gapw-1-distributed.inp
no-gapw-1-replicated.inp
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no-gapw-4.inp
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no-gapw-1.inp
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no-gapw-2.inp
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no-gapw-3.inp
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no-gapw-4.inp
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no-gapw-1-distributed.inp
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no-gapw-1-replicated.inp
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no-gapw-gpw-1.inp
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no-gapw-1.inp
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no-gapw-4.inp
