# runs are executed in the same order as in this file
# the second field tells which test should be run in order to compare with the last available output
# see regtest/TEST_FILES
#
# Resets due to numerics in GAPW terms
H2O-hybrid-bhandh.inp     
H2O-hybrid-bhandhlyp.inp 
H2O-hybrid-pbe0.inp     
H2O-hybrid-b3lyp.inp   
H2O-hybrid-b3lyp-g03.inp     
CH3-hybrid-b3lyp-lsd-g03.inp
CH3-hybrid-handh-lsd.inp   
CH3-hybrid-handhlyp-lsd.inp 
CH3-hybrid-pbe0-lsd.inp    
#Resets due to improved screening
H2O-hybrid-bhandh.inp
H2O-hybrid-bhandhlyp.inp
H2O-hybrid-pbe0.inp
H2O-hybrid-b3lyp.inp
H2O-hybrid-b3lyp-g03.inp
CH3-hybrid-b3lyp-lsd-g03.inp
CH3-hybrid-handh-lsd.inp
CH3-hybrid-handhlyp-lsd.inp
CH3-hybrid-pbe0-lsd.inp
#Resets due to improved screening
H2O-hybrid-pbe0.inp
H2O-hybrid-b3lyp.inp
H2O-hybrid-b3lyp-g03.inp
#  
H2O-hybrid-bhandhlyp.inp
#  
CH3-hybrid-b3lyp-lsd-g03.inp
#  
CH3-hybrid-handh-lsd.inp
#  
CH3-hybrid-handhlyp-lsd.inp
#  
CH3-hybrid-pbe0-lsd.inp
#  
H2O-hybrid-bhandhlyp.inp
#  
H2O-hybrid-b3lyp.inp
#  
H2O-hybrid-b3lyp-g03.inp
#  
CH3-hybrid-b3lyp-lsd-g03.inp
#  
CH3-hybrid-handhlyp-lsd.inp
#  
H2O-hybrid-bhandhlyp.inp
#  
H2O-hybrid-b3lyp.inp
#  
H2O-hybrid-b3lyp-g03.inp
#  
CH3-hybrid-b3lyp-lsd-g03.inp
#  
CH3-hybrid-handhlyp-lsd.inp
H2O-hybrid-pbe0.inp
H2O-hybrid-b3lyp.inp
H2O-hybrid-b3lyp-g03.inp
#  
H2O-hybrid-bhandh.inp
#  
H2O-hybrid-bhandhlyp.inp
#  
H2O-hybrid-pbe0.inp
#  
H2O-hybrid-b3lyp.inp
#  
H2O-hybrid-b3lyp-g03.inp
#  
CH3-hybrid-b3lyp-lsd-g03.inp
#  
CH3-hybrid-handh-lsd.inp
#  
CH3-hybrid-handhlyp-lsd.inp
#  
CH3-hybrid-pbe0-lsd.inp
#  
CH3-hybrid-HSE06-lsd.inp
#Reset due to compression
CH3-hybrid-b3lyp-lsd-g03.inp
CH3-hybrid-handh-lsd.inp
CH3-hybrid-handhlyp-lsd.inp
CH3-hybrid-HSE06-lsd.inp
CH3-hybrid-pbe0-lsd.inp
H2O-hybrid-b3lyp-g03.inp
H2O-hybrid-b3lyp.inp
H2O-hybrid-bhandh.inp
H2O-hybrid-bhandhlyp.inp
H2O-hybrid-pbe0.inp
NE-hybrid-HSE03-lda.inp
NE-hybrid-HSE06-lda.inp
# new_arch_files 
H2O-hybrid-bhandhlyp.inp
# new_arch_files 
H2O-hybrid-b3lyp.inp
# new_arch_files 
H2O-hybrid-b3lyp-g03.inp
# new_arch_files 
CH3-hybrid-b3lyp-lsd-g03.inp
# new_arch_files 
CH3-hybrid-handhlyp-lsd.inp
# wrong parameter for HSE
CH3-hybrid-HSE06-lsd.inp
# change in definition for MT cutoff
H2O-hybrid-bhandh.inp
H2O-hybrid-bhandhlyp.inp
H2O-hybrid-pbe0.inp
H2O-hybrid-b3lyp.inp
H2O-hybrid-b3lyp-g03.inp
CH3-hybrid-b3lyp-lsd-g03.inp
CH3-hybrid-handh-lsd.inp
CH3-hybrid-handhlyp-lsd.inp
CH3-hybrid-pbe0-lsd.inp
NE-hybrid-HSE03-lda.inp
NE-hybrid-HSE06-lda.inp
CH3-hybrid-HSE06-lsd.inp

#  
H2O-hybrid-bhandhlyp.inp
#  
H2O-hybrid-b3lyp.inp
#  
H2O-hybrid-b3lyp-g03.inp
#  
CH3-hybrid-b3lyp-lsd-g03.inp
#  
CH3-hybrid-handhlyp-lsd.inp
#  
CH3-hybrid-HSE06-lsd.inp
#  
Li-hybrid-rcam-b3lyp.inp
#
CH3-hybrid-b3lyp-lsd-g03.inp
#  
H2O-hybrid-bhandh.inp
#  
H2O-hybrid-bhandhlyp.inp
#  
H2O-hybrid-pbe0.inp
#  
H2O-hybrid-b3lyp.inp
#  
H2O-hybrid-b3lyp-g03.inp
#  
CH3-hybrid-b3lyp-lsd-g03.inp
#  
CH3-hybrid-handh-lsd.inp
#  
CH3-hybrid-handhlyp-lsd.inp
#  
CH3-hybrid-pbe0-lsd.inp
#  
NE-hybrid-HSE03-lda.inp
#  
NE-hybrid-HSE06-lda.inp
#  
CH3-hybrid-HSE06-lsd.inp
#  
H2O-hybrid-b3lyp_shortcut.inp
#  
H2O-hybrid-pbe0_shortcut.inp
#  
Li-hybrid-rcam-b3lyp.inp
#  
Ne-hybrid-rcam-b3lyp.inp
#  
Li-hybrid-MCY3.inp
#  
Ne-hybrid-MCY3.inp
#  
H2O-hybrid-bhandh.inp
#  
H2O-hybrid-bhandhlyp.inp
#  
H2O-hybrid-pbe0.inp
#  
H2O-hybrid-b3lyp.inp
#  
H2O-hybrid-b3lyp-g03.inp
#  
CH3-hybrid-b3lyp-lsd-g03.inp
#  
CH3-hybrid-handh-lsd.inp
#  
CH3-hybrid-handhlyp-lsd.inp
#  
CH3-hybrid-pbe0-lsd.inp
#  
NE-hybrid-HSE03-lda.inp
#  
NE-hybrid-HSE06-lda.inp
#  
CH3-hybrid-HSE06-lsd.inp
#  
H2O-hybrid-b3lyp_shortcut.inp
#  
H2O-hybrid-pbe0_shortcut.inp
#  
Li-hybrid-rcam-b3lyp.inp
#  
Ne-hybrid-rcam-b3lyp.inp
#  
Li-hybrid-MCY3.inp
#  
Ne-hybrid-MCY3.inp
# CODATA 2006
CH3-hybrid-b3lyp-lsd-g03.inp
CH3-hybrid-handh-lsd.inp
CH3-hybrid-handhlyp-lsd.inp
CH3-hybrid-HSE06-lsd.inp
CH3-hybrid-pbe0-lsd.inp
H2O-hybrid-b3lyp-g03.inp
H2O-hybrid-b3lyp.inp
H2O-hybrid-b3lyp_shortcut.inp
H2O-hybrid-bhandh.inp
H2O-hybrid-bhandhlyp.inp
H2O-hybrid-pbe0.inp
H2O-hybrid-pbe0_shortcut.inp
Li-hybrid-MCY3.inp
Li-hybrid-rcam-b3lyp.inp
Ne-hybrid-MCY3.inp
Ne-hybrid-rcam-b3lyp.inp
# constant rootpi corrected 
H2O-hybrid-bhandh.inp
H2O-hybrid-bhandhlyp.inp
H2O-hybrid-pbe0.inp
H2O-hybrid-b3lyp.inp
H2O-hybrid-b3lyp-g03.inp
CH3-hybrid-b3lyp-lsd-g03.inp
CH3-hybrid-handh-lsd.inp
CH3-hybrid-handhlyp-lsd.inp
CH3-hybrid-pbe0-lsd.inp
NE-hybrid-HSE03-lda.inp
NE-hybrid-HSE06-lda.inp
CH3-hybrid-HSE06-lsd.inp
H2O-hybrid-b3lyp_shortcut.inp
H2O-hybrid-pbe0_shortcut.inp
Ne-hybrid-rcam-b3lyp.inp
Ne-hybrid-MCY3.inp
# more numerics NAG compiler
Li-hybrid-MCY3.inp
Li-hybrid-rcam-b3lyp.inp
# more numerics rootpi -> g95 popt
Li-hybrid-rcam-b3lyp.inp
# numerics SQRT(pi) -> rootpi and same for oorootpi
Ne-hybrid-MCY3.inp
Ne-hybrid-rcam-b3lyp.inp
# numerics SQRT(pi) -> rootpi and same for oorootpi
Li-hybrid-rcam-b3lyp.inp
#  
Li-hybrid-rcam-b3lyp.inp
#  
Ne-hybrid-rcam-b3lyp.inp
#  
Ne-hybrid-MCY3.inp
#  
Ne-hybrid-rcam-b3lyp.inp
#  
Ne-hybrid-MCY3.inp
# New initial guess ATOMIC 
H2O-hybrid-bhandh.inp
# New initial guess ATOMIC 
H2O-hybrid-bhandhlyp.inp
# New initial guess ATOMIC 
H2O-hybrid-pbe0.inp
# New initial guess ATOMIC 
H2O-hybrid-b3lyp.inp
# New initial guess ATOMIC 
H2O-hybrid-b3lyp-g03.inp
# New initial guess ATOMIC 
CH3-hybrid-b3lyp-lsd-g03.inp
# New initial guess ATOMIC 
CH3-hybrid-handh-lsd.inp
# New initial guess ATOMIC 
CH3-hybrid-handhlyp-lsd.inp
# New initial guess ATOMIC 
CH3-hybrid-pbe0-lsd.inp
# New initial guess ATOMIC 
CH3-hybrid-HSE06-lsd.inp
# New initial guess ATOMIC 
H2O-hybrid-b3lyp_shortcut.inp
# New initial guess ATOMIC 
H2O-hybrid-pbe0_shortcut.inp
# New initial guess ATOMIC 
Li-hybrid-rcam-b3lyp.inp
# New initial guess ATOMIC 
Ne-hybrid-rcam-b3lyp.inp
# New initial guess ATOMIC 
Li-hybrid-MCY3.inp
# New initial guess ATOMIC 
Ne-hybrid-MCY3.inp
#  
Li-hybrid-rcam-b3lyp.inp
#  
Ne-hybrid-rcam-b3lyp.inp
#  
Ne-hybrid-MCY3.inp
#
Li-hybrid-rcam-b3lyp.inp
Ne-hybrid-rcam-b3lyp.inp
Ne-hybrid-MCY3.inp
# FFTW changes 
Li-hybrid-rcam-b3lyp.inp
# FFTW changes 
Ne-hybrid-rcam-b3lyp.inp
# FFTW changes 
Ne-hybrid-MCY3.inp
# reset for FFT patch 
Li-hybrid-rcam-b3lyp.inp
# reset for FFT patch 
Ne-hybrid-rcam-b3lyp.inp
# reset for FFT patch 
Ne-hybrid-MCY3.inp
#  
Li-hybrid-rcam-b3lyp.inp
#  
Ne-hybrid-rcam-b3lyp.inp
#  
Ne-hybrid-MCY3.inp
#
Li-hybrid-rcam-b3lyp.inp
Ne-hybrid-rcam-b3lyp.inp
Ne-hybrid-MCY3.inp
# speedup projection
Li-hybrid-rcam-b3lyp.inp
# GAPW rewrite 2nd step 
CH3-hybrid-b3lyp-lsd-g03.inp
# GAPW rewrite 2nd step 
CH3-hybrid-handh-lsd.inp
# GAPW rewrite 2nd step 
CH3-hybrid-handhlyp-lsd.inp
# GAPW rewrite 2nd step 
CH3-hybrid-pbe0-lsd.inp
# GAPW rewrite 2nd step 
CH3-hybrid-HSE06-lsd.inp
# more numerics
Ne-hybrid-MCY3.inp
Ne-hybrid-rcam-b3lyp.inp
# Refactoring of qs_core_hamiltonian 
Li-hybrid-rcam-b3lyp.inp
# Refactoring of qs_core_hamiltonian 
Ne-hybrid-rcam-b3lyp.inp
# Refactoring of qs_core_hamiltonian 
Ne-hybrid-MCY3.inp
#numerics
Ne-hybrid-MCY3.inp
Ne-hybrid-rcam-b3lyp.inp
Li-hybrid-rcam-b3lyp.inp
# spherical harmonics reduce mem usage
Li-hybrid-rcam-b3lyp.inp
# spherical harmonics reduce mem usage
Ne-hybrid-rcam-b3lyp.inp
# spherical harmonics reduce mem usage
Ne-hybrid-MCY3.inp
# GAPW memory reduction
Li-hybrid-rcam-b3lyp.inp
Ne-hybrid-rcam-b3lyp.inp
Ne-hybrid-MCY3.inp
# new storage format density/fock matrices
Li-hybrid-rcam-b3lyp.inp
Ne-hybrid-rcam-b3lyp.inp
Ne-hybrid-MCY3.inp
# FFTW3 now plans to use SSE by default 
Li-hybrid-rcam-b3lyp.inp
# FFTW3 now plans to use SSE by default 
Ne-hybrid-rcam-b3lyp.inp
# FFTW3 now plans to use SSE by default 
Ne-hybrid-MCY3.inp
#
Li-hybrid-rcam-b3lyp.inp
#
Li-hybrid-rcam-b3lyp.inp
#
Ne-hybrid-rcam-b3lyp.inp
#
Ne-hybrid-MCY3.inp
#
Li-hybrid-rcam-b3lyp.inp
Ne-hybrid-rcam-b3lyp.inp
# bug fix dof for linear mol/single atoms
Ne-hybrid-rcam-b3lyp.inp
# fm to dbcsr
Li-hybrid-rcam-b3lyp.inp
# fm to dbcsr
Ne-hybrid-rcam-b3lyp.inp
# fm to dbcsr
Ne-hybrid-MCY3.inp
# fm to dbcsr
CH3-PBE0_TC.inp
# fm to dbcsr
CH3-PBE0_TC_LRC.inp
# atomic code: unrestricted calculations 
Li-hybrid-rcam-b3lyp.inp
# convert mo_derivs to dbcsr
CH3-PBE0_TC_LRC.inp
#
CH3-PBE0_TC.inp
#
Ne-hybrid-rcam-b3lyp.inp
#
Li-hybrid-MCY3.inp
#
Ne-hybrid-MCY3.inp
# Numerics 
CH3-PBE0_TC.inp
# Numerics 
CH3-PBE0_TC_LRC.inp
#new type
farming-1.inp
#  
Li-hybrid-rcam-b3lyp.inp
#  
Ne-hybrid-rcam-b3lyp.inp
#  
Li-hybrid-MCY3.inp
#  
Ne-hybrid-MCY3.inp
#  
H2_PW_HFX.inp
#  
CH4-PBE0_TC.inp
#  
CH3-PBE0_TC.inp
#  
CH3-PBE0_TC_LRC.inp
#  
CH4-PBE0_TC_LRC.inp
# Numerics due to DBCSR images. 
CH4-PBE0_TC.inp
# Numerics due to DBCSR images. 
CH4-PBE0_TC_LRC.inp
# reset after merge of qs refactoring branch merge 
CH4-PBE0_TC.inp
# reset after merge of qs refactoring branch merge 
CH4-PBE0_TC_LRC.inp
#  
CH4-PBE0_TC.inp
#  
CH4-PBE0_TC_LRC.inp
#  
Li-hybrid-MCY3.inp
#  
Ne-hybrid-MCY3.inp
#
Li-hybrid-MCY3.inp
Ne-hybrid-MCY3.inp
#
Ne-hybrid-rcam-b3lyp.inp
# reset numerics
Li-hybrid-rcam-b3lyp.inp
Ne-hybrid-MCY3.inp
Ne-hybrid-rcam-b3lyp.inp
# more numerics
CH4-PBE0_TC.inp
CH4-PBE0_TC_LRC.inp
