#
H2-emd.inp
H2plus-emd.inp
H2plus-emd-1.inp
H2-rtp_ETRS_PADE.inp
#
H2-emd_restart.inp
H2-emd_restart-1.inp
H2-rtp-efield.inp
H2-emd-efield.inp
#
H2-rtp_ETRS_PADE.inp
# change of default extraolation leads to numerical differences
H2-emd_CN.inp
H2-emd-efield.inp
H2-emd_EM.inp
H2-emd_ETRS_PADE.inp
H2-emd.inp
H2-emd_restart-1.inp
H2-emd_restart.inp
H2plus-emd-1.inp
H2plus-emd.inp
H2plus-rtp-1.inp
H2plus-rtp.inp
H2-rtp_CN.inp
H2-rtp-efield.inp
H2-rtp_EM_DIAG.inp
H2-rtp_ETRS_ARNOLDI.inp
H2-rtp_ETRS_PADE.inp
H2-rtp.inp
H2-rtp_restart-1.inp
H2-rtp_restart.inp
wfn_mix_0.inp
wfn_mix_1.inp
wfn_mix_2.inp
# bug fix in LDA forces (tiny changes)
H2-emd_CN.inp
H2-emd-efield.inp
H2-emd_EM.inp
H2-emd_ETRS_PADE.inp
H2-emd.inp
H2-emd_restart-1.inp
H2-emd_restart.inp
#
H2plus-emd-1.inp
#
H2-emd_restart-1.inp
#serious bug fix for initialization 
H2-emd_CN.inp
H2-emd-efield.inp
H2-emd_EM.inp
H2-emd_ETRS_PADE.inp
H2-emd.inp
H2-emd_restart-1.inp
H2-emd_restart.inp
H2plus-emd-1.inp
H2plus-emd.inp
# FFTW3 now plans to use SSE by default 
wfn_mix_1.inp
#  
H2plus-rtp.inp
#  
H2plus-rtp-1.inp
#  
H2plus-emd-1.inp
#  
H2plus-emd.inp
#
wfn_mix_1.inp
# bug fix DOF for linear molecules
H2-emd_CN.inp
H2-emd-efield.inp
H2-emd_EM.inp
H2-emd_ETRS_PADE.inp
H2-emd.inp
H2-emd_restart-1.inp
H2-emd_restart.inp
H2plus-emd-1.inp
H2plus-emd.inp
#
wfn_mix_1.inp
# bug fix dof for linear mol/single atoms
H2-emd_CN.inp
H2-emd-efield.inp
H2-emd_EM.inp
H2-emd_ETRS_PADE.inp
H2-emd.inp
H2-emd_restart-1.inp
H2-emd_restart.inp
H2plus-emd-1.inp
H2plus-emd.inp
# Numerics changes due to different distributions 
wfn_mix_1.inp
# turned on dbcsr_multiply_fm_fm_t
wfn_mix_1.inp
#change in defaults
H2-emd_CN.inp
H2-emd-efield.inp
H2-emd_EM.inp
H2-emd_ETRS_PADE.inp
H2-emd.inp
H2-emd_restart-1.inp
H2-emd_restart.inp
H2plus-emd-1.inp
H2plus-emd.inp
H2plus-rtp-1.inp
H2plus-rtp.inp
H2-rtp_CN.inp
H2-rtp-efield.inp
H2-rtp_EM_DIAG.inp
H2-rtp_ETRS_ARNOLDI.inp
H2-rtp_ETRS_PADE.inp
H2-rtp.inp
H2-rtp_restart-1.inp
H2-rtp_restart.inp
wfn_mix_0.inp
wfn_mix_1.inp
wfn_mix_2.inp
wfn_mix_loc-0.inp
wfn_mix_loc-1.inp
# fm to dbcsr
wfn_mix_1.inp
#
wfn_mix_1.inp
wfn_mix_loc-1.inp
wfn_mix_loc-1.inp
# atomic code: unrestricted calculations 
wfn_mix_1.inp
# Numerics 
wfn_mix_1.inp
#  
H2plus-rtp.inp
#  
H2plus-rtp-1.inp
#  
H2-rtp.inp
#  
H2-emd.inp
#  
H2plus-emd-1.inp
#  
H2plus-emd.inp
#  
H2-emd_CN.inp
#  
H2-emd_EM.inp
#  
H2-emd_ETRS_PADE.inp
#  
H2-rtp_CN.inp
#  
H2-rtp_ETRS_PADE.inp
#  
H2-emd_restart.inp
#  
H2-emd_restart-1.inp
#  
H2-rtp_restart.inp
#  
H2-rtp_restart-1.inp
#  
H2-rtp-efield.inp
#  
H2-emd-efield.inp
#  
H2-rtp_ETRS_ARNOLDI.inp
#  
wfn_mix_1.inp
#  
wfn_mix_loc-1.inp
#  
wfn_mix_loc_mark-1.inp
#  
H2O_excit_emd.inp
# Update of atomic weights 
H2-emd.inp
H2plus-emd-1.inp
H2plus-emd.inp
H2-emd_EM.inp
H2-emd_ETRS_PADE.inp
H2-emd_restart.inp
H2-emd_restart-1.inp
H2-emd-efield.inp
H2O_excit_emd.inp
# Numerics due to DBCSR images. 
wfn_mix_1.inp
# Numerics differences due to different distribution 
wfn_mix_1.inp
# reset numerics, fix upper limits in multiply
wfn_mix_1.inp
#
wfn_mix_1.inp
# reset few regs w.r.t. several different compilers
wfn_mix_loc-1.inp
# Numerics introduced by major QS refactoring 
wfn_mix_1.inp
#  
wfn_mix_1.inp
# Numerics due to new local multiplication. 
wfn_mix_1.inp
# extended GTH pseudopotentials 
wfn_mix_1.inp
# change of initialisation
H2-rtp.inp.
H2-rtp_ETRS_PADE.inp
H2-rtp_restart.inp
H2-rtp_restart-1.inp
H2-rtp-efield.inp
H2-rtp_ETRS_ARNOLDI.inp
#wrong file name
H2-rtp.inp
