#
#  
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
