#
#  
crys_per_qmmm.inp
#  
crys_per_qmmm_anal.inp
#  
crys_per_qmmm_spln.inp
#  
crys_per_qmmm_none.inp
# Using the kahan sums in the construction of the DDAPC
crys_per_qmmm_anal.inp
crys_per_qmmm_spln.inp
# ddapc speed improvements 
crys_per_qmmm_anal.inp
# ddapc speed improvements 
crys_per_qmmm_spln.inp
#  
crys_per_qmmm_anal.inp
#  
crys_per_qmmm_spln.inp
# changing the definition of ch_dens
acn-conn-1.inp
acn-qmmm-re.inp
# new parallel scheme for QM/MM
acn-conn-1.inp
acn-qmmm-re.inp
# improved parallel scheme for qm/mm. numerical reset
acn-conn-1.inp
acn-qmmm-re.inp
# bug fix in derivatives of DDAPC
crys_per_qmmm_anal.inp
crys_per_qmmm_spln.inp
#  
acn-conn-1.inp
#  
acn-qmmm-re.inp
#  
acn-conn-1.inp
#  
acn-qmmm-re.inp
#  
acn-conn-1.inp
#  
crys_per_qmmm_anal.inp
#  
crys_per_qmmm_spln.inp
#  
acn-conn-1.inp
#  
acn-qmmm-re.inp
#  
crys_per_qmmm_spln.inp
#  
acn-conn-1.inp
#  
acn-conn-1.inp
#DFTB update
acn-conn-1.inp
#  
acn-conn-1.inp
#  
acn-qmmm-re.inp
#  
crys_per_qmmm.inp
#  
crys_per_qmmm_anal.inp
#  
crys_per_qmmm_spln.inp
#  
crys_per_qmmm_none.inp
#  
acn-qmmm-re.inp
#  
acn-qmmm-re.inp
#  
acn-conn-1.inp
#  
acn-qmmm-re.inp
#  
acn-conn-1.inp
#  
acn-qmmm-re.inp
#  
acn-conn-1.inp
#  
crys_per_qmmm.inp
#  
crys_per_qmmm_anal.inp
#  
crys_per_qmmm_spln.inp
#  
crys_per_qmmm_none.inp
#  
acn-qmmm-re.inp
#  
acn-conn-1.inp
#  
crys_per_qmmm.inp
#  
crys_per_qmmm_anal.inp
#  
crys_per_qmmm_spln.inp
#  
crys_per_qmmm_none.inp
#  
acn-qmmm-re.inp
#  
acn-conn-1.inp
# CODATA 2006
acn-conn-1.inp
acn-qmmm-re.inp
crys_per_qmmm_anal.inp
crys_per_qmmm.inp
crys_per_qmmm_none.inp
crys_per_qmmm_spln.inp
#  
acn-conn-1.inp
# eps0 
crys_per_qmmm_anal.inp
crys_per_qmmm_spln.inp
acn-qmmm-re.inp
acn-conn-1.inp
wat_nacl.inp
# eps0 removed 
crys_per_qmmm_spln.inp
acn-qmmm-re.inp
# more numerics for eps0 commit
acn-conn-1.inp
# constant rootpi corrected 
crys_per_qmmm_spln.inp
wat_nacl.inp
# more numerics rootpi
crys_per_qmmm_anal.inp
# numerics SQRT(pi) -> rootpi and same for oorootpi
acn-conn-1.inp
# numerics SQRT(pi) -> rootpi and same for oorootpi
acn-qmmm-re.inp
#  
acn-qmmm-re.inp
#  
acn-conn-1.inp
#  
acn-conn-1.inp
#  
acn-qmmm-re.inp
#  
acn-conn-1.inp
# 
acn-conn-1.inp
# numerics
acn-conn-1.inp
#NL PP rewrite 
acn-conn-1.inp 
acn-qmmm-re.inp 
# New initial guess ATOMIC 
acn-qmmm-re.inp
# New initial guess ATOMIC 
acn-conn-1.inp
# FFTW changes 
acn-qmmm-re.inp
# FFTW changes 
acn-conn-1.inp
# reset for FFT patch 
acn-qmmm-re.inp
# reset for FFT patch 
acn-conn-1.inp
#  
crys_per_qmmm_spln.inp
#  
acn-qmmm-re.inp
#  
acn-conn-1.inp
#  
crys_per_qmmm_spln.inp
# Refactoring of qs_core_hamiltonian 
acn-qmmm-re.inp
# Refactoring of qs_core_hamiltonian 
acn-conn-1.inp
# speedup changes for core_ppl 
acn-conn-1.inp
#syevd
acn-conn-1.inp
# bug fix self-interaction with periodic images
acn-conn-1.inp
acn-qmmm-re.inp
crys_per_qmmm_anal.inp
crys_per_qmmm_spln.inp
# FFTW3 now plans to use SSE by default 
crys_per_qmmm_anal.inp
# FFTW3 now plans to use SSE by default 
acn-qmmm-re.inp
# FFTW3 now plans to use SSE by default 
acn-conn-1.inp
#
acn-qmmm-re.inp
#
acn-conn-1.inp
#
acn-conn-1.inp
Si_tersoff_qmmm.inp
#
acn-conn-1.inp
# fm to dbcsr
crys_per_qmmm_anal.inp
# fm to dbcsr
crys_per_qmmm_spln.inp
# fm to dbcsr
acn-qmmm-re.inp
# fm to dbcsr
acn-conn-1.inp
# atomic code: unrestricted calculations 
acn-conn-1.inp
#  
acn-conn-1.inp
# Numerics 
acn-conn-1.inp
#
acn-qmmm-re.inp
# analytic electrostatic in Fist
wat_nacl.inp
# Update of atomic weights 
crys_per_qmmm_anal.inp
crys_per_qmmm_spln.inp
# reset for numerics with a bunch of compilers/libs (all smaller than 1E-9)
acn-conn-1.inp
# Numerics differences due to different distribution 
acn-conn-1.inp
# Numerics introduced by major QS refactoring 
acn-qmmm-re.inp
# Numerics introduced by major QS refactoring 
acn-conn-1.inp
#  
acn-conn-1.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
# numerics
crys_per_qmmm_spln.inp
acn-conn-1.inp
crys_per_qmmm_anal.inp
acn-qmmm-re.inp
#
crys_per_qmmm_anal.inp
crys_per_qmmm_spln.inp
acn-qmmm-re.inp
acn-conn-1.inp
# numerics
H+-bloechl.inp
H2O-bloechl-Spl.inp
H2O-solv.inp
He2H-bloechl-md.inp
H2O-bloechl-restraint.inp
He2H-bloechl.inp
H2O-bloechl.inp
sic_ddapc_rt.inp
He2_ddapc_constraint-3.inp
spin_restraint.inp
He3_multi_ddapc.inp
crys_per_qmmm_spln.inp
acn-conn-1.inp
crys_per_qmmm_anal.inp
driver.inp
driver-restart.inp
# extended GTH pseudopotentials 
acn-qmmm-re.inp
# extended GTH pseudopotentials 
acn-conn-1.inp
#  
crys_per_qmmm.inp
#  
crys_per_qmmm_anal.inp
#  
crys_per_qmmm_spln.inp
#  
acn-qmmm-re.inp
#  
wat_nacl.inp
# reset numerics
acn-conn-1.inp
acn-qmmm-re.inp
crys_per_qmmm_anal.inp
crys_per_qmmm_spln.inp
#  
acn-conn-1.inp
