H2-big-10.inp
H2-big-11.inp
# Numerics due to new local multiplication. 
H2-big-1.inp
# Numerics due to new local multiplication. 
H2-big-2.inp
# Numerics due to new local multiplication. 
H2-big-3.inp
# Numerics due to new local multiplication. 
H2-big-4.inp
# Numerics due to new local multiplication. 
H2-big-7.inp
# Numerics due to new local multiplication. 
H2-big-8.inp
# Numerics due to new local multiplication. 
H2-big-9.inp
# Numerics due to new local multiplication. 
H2-big-10.inp
# Numerics due to new local multiplication. 
H2-big-11.inp
# Numerics due to new local multiplication. 
H2O-32-se-ls-2.inp
# Numerics due to new local multiplication. 
H2O-32-dftb-ls-2-2.inp
# numerics more compilers..
H2O-32-dftb-ls-2.inp
N3-4.inp
extrap-7.inp
CO_xastpfh.inp
c8_pmix_gapw_all_xashh.inp
c8_pmix_gapw_all.inp
o2-gapw-uks-4.inp
O2.inp
si8_pulay_md.inp
si8_broy_stm.inp
si8_pulay_off.inp
si8_broy_kry.inp
si8_broy_kry_r.inp
si8_pulay_reduce.inp
si8_pmix_otdiag.inp
si8_kerker.inp
si8_pulay_restore.inp
si8_pulay_inverse.inp
si8_pulay.inp
no-gapw-issc-1.inp
NO2-EFG-1.inp
H2O-meta_hydro.inp
CO_xastpxhh_loclist.inp
CO_xastpxhh.inp
CO_xastpxfh.inp
c8_kerker_gapw.inp
si8_noort_broy_wc_jacobi_ene1.inp
c8_broy_gop.inp
c8_broy_gapw.inp
c8_broy.inp
c8_broy_gapw_gop.inp
acn-conn-1.inp
Si_tersoff_qmmm.inp
stp6.inp
st.inp
Pt-cis-2xpet3Cl2-si-noc.inp
stp5.inp
md.inp
stp1.inp
Pt-cis-2xpet3Cl2.inp
stp2.inp
Pt-cis-2xpet3Cl2-si.inp
ice-scp-ewald_gks.inp
st.inp
LM-KSDO-D.inp
wfn_ex3.inp
LM-KSDO.inp
Al2O3.inp
H2O-32-se-ls-2.inp
ace_ala_nme_pm6_07.inp
ace_ala_nme_pm6_08.inp
ace_ala_nme_pm6_09.inp
#
H2O-32-se-ls-2.inp
# extended GTH pseudopotentials 
H2-big-10.inp
# extended GTH pseudopotentials 
H2-big-11.inp
# Atomic energy and stress properties 
ace_ala_nme_pm6_01.inp
# Atomic energy and stress properties 
ace_ala_nme_pm6_02.inp
# Atomic energy and stress properties 
ace_ala_nme_pm6_03.inp
# Atomic energy and stress properties 
ace_ala_nme_pm6_07.inp
# Atomic energy and stress properties 
ace_ala_nme_pm6_08.inp
# Atomic energy and stress properties 
ace_ala_nme_pm6_09.inp
# Atomic energy and stress properties 
ace_ala_nme_pm6_10.inp
# Atomic energy and stress properties 
ace_ala_nme_pm6_11.inp
# Atomic energy and stress properties 
ace_ala_nme_pm6_12.inp
#  
H2-big-1.inp
#  
H2-big-2.inp
#  
H2-big-3.inp
#  
H2-big-4.inp
#  
H2-big-5.inp
#  
H2-big-6.inp
#  
H2-big-7.inp
#  
H2-big-8.inp
#  
H2-big-9.inp
#  
H2-big-10.inp
#  
H2-big-11.inp
#
H2O-32-se-ls-2.inp
#  
H2-big-1.inp
#  
H2-big-2.inp
#  
H2-big-3.inp
#  
H2-big-4.inp
#  
H2-big-7.inp
#  
H2-big-8.inp
#  
H2-big-9.inp
#  
H2-big-10.inp
#  
H2-big-11.inp
#  
H2O-32-dftb-ls-2.inp
#  
H2O-32-dftb-ls-2-2.inp
#  
H2O-32-dftb-ls-3.inp
#  
H2O-32-dftb-ls-4.inp
#  
H2O-32-dftb-trs4.inp
#  
H2O-32-dftb-trs4.inp
#
#  
H2-big-1.inp
#  
H2-big-2.inp
#  
H2-big-3.inp
#  
H2-big-4.inp
#  
H2-big-7.inp
#  
H2-big-8.inp
#  
H2-big-9.inp
#  
H2-big-10.inp
#  
H2-big-11.inp
#  
H2O-32-dftb-ls-2.inp
#  
H2O-32-dftb-ls-2-2.inp
#  
H2O-32-dftb-ls-3.inp
#  
H2O-32-dftb-ls-4.inp
#  
ace_ala_nme_pm6_04.inp
#  
ace_ala_nme_pm6_05.inp
#  
ace_ala_nme_pm6_06.inp
#  
H2O-32-dftb-trs4.inp
#  
H2O-32-dftb-ls-5.inp
#  
H2O-32-dftb-ls-6.inp
#  
H2O-32-dftb-ls-7.inp
#  
H2O-32-dftb-ls-8.inp
# Numerics due to the use of the internal RNG 
H2-big-1.inp
H2-big-2.inp
H2-big-3.inp
H2-big-4.inp
H2-big-7.inp
H2-big-8.inp
H2-big-9.inp
H2-big-10.inp
H2-big-11.inp
H2O-32-dftb-ls-2.inp
H2O-32-dftb-ls-4.inp
H2O-32-dftb-trs4.inp
H2O-32-dftb-ls-5.inp
H2O-32-dftb-ls-6.inp
H2O-32-dftb-ls-7.inp
H2O-32-dftb-ls-8.inp
# further trs4 refinements
H2O-32-dftb-trs4.inp
# reset numerics
H2-big-10.inp
H2-big-11.inp
# more numerics
H2-big-1.inp
H2-big-2.inp
H2-big-4.inp
H2-big-7.inp
H2-big-8.inp
#  
H2-big-11.inp
#  
H2O-32-dftb-ls-2-2.inp
#  
H2-big-10.inp
#  
H2-big-11.inp
#  
ace_ala_nme_pm6_07.inp
#  
ace_ala_nme_pm6_08.inp
#  
ace_ala_nme_pm6_09.inp
#  
ace_ala_nme_pm6_10.inp
#  
ace_ala_nme_pm6_11.inp
#  
ace_ala_nme_pm6_12.inp
#  
H2-big-10.inp
#  
H2-big-11.inp
#  
ace_ala_nme_pm6_01.inp
#  
ace_ala_nme_pm6_02.inp
#  
ace_ala_nme_pm6_03.inp
#  
ace_ala_nme_pm6_04.inp
#  
ace_ala_nme_pm6_05.inp
#  
ace_ala_nme_pm6_06.inp
#  
ace_ala_nme_pm6_07.inp
#  
ace_ala_nme_pm6_08.inp
#  
ace_ala_nme_pm6_09.inp
#  
ace_ala_nme_pm6_10.inp
#  
ace_ala_nme_pm6_11.inp
#  
ace_ala_nme_pm6_12.inp
# change in extrapolation and resymmetrize S1/2
H2-big-1.inp 
H2-big-2.inp 
H2-big-7.inp 
H2-big-8.inp 
H2-big-9.inp 
H2-big-10.inp 
H2-big-11.inp 
H2-big-12.inp 
H2O-32-dftb-ls-2-2.inp 
H2O-32-dftb-trs4.inp 
H2O-32-dftb-ls-5.inp 
H2O-32-dftb-ls-7.inp 
H2O-32-dftb-ls-8.inp 
H2O-32-dftb-trs4-dyn.inp 
H2_curvy-1.inp 
H2_curvy-2.inp 
H2_curvy-3.inp 
H2O-dft-ecube.inp
#fix for extrapolation with S_PRECONDITIONER
H2-big-11.inp
H2O-32-dftb-ls-2-2.inp
#improvement of bfgs and curvy steps
H2O-restart-read-curvy.inp
#improvement of bfgs and curvy steps
H2O-curvy-prop.inp
#  
H2-big-10.inp
#  
H2-big-11.inp
# almo changes to hotelling
H2-big-4.inp
