graphite2.inp
graphite.inp
#  
graphite.inp
#  
graphite2.inp
#  
graphite2.inp
graphite.inp
#  
graphite2.inp
graphite.inp
#  
graphite.inp
#  
graphite2.inp
# changing non ortho routines
graphite.inp
graphite2.inp
graphite3.inp
# changing non ortho routines
graphite.inp
graphite2.inp
graphite3.inp
# CODATA 2006
graphite.inp
graphite2.inp
graphite3.inp
#  
graphite.inp
#  
graphite2.inp
#  
graphite3.inp
#  
graphite-lumo.inp
# more numerics NAG compiler
graphite2.inp
# numerics SQRT(pi) -> rootpi and same for oorootpi
graphite2.inp
graphite3.inp
graphite.inp
graphite3.inp
# temporarily switch back to the other generalised collocate 
graphite.inp
# temporarily switch back to the other generalised collocate 
graphite2.inp
# temporarily switch back to the other generalised collocate 
graphite3.inp
# more numerics ppnl
graphite2.inp
graphite3.inp
graphite.inp
# 
graphite2.inp
graphite3.inp
graphite.inp
# numerics
graphite2.inp
graphite3.inp
graphite.inp
#NL PP rewrite 
graphite2.inp 
graphite3.inp 
graphite.inp 
graphite-lumo.inp 
# New initial guess ATOMIC 
graphite.inp
# New initial guess ATOMIC 
graphite2.inp
# New initial guess ATOMIC 
graphite3.inp
# New initial guess ATOMIC 
graphite-lumo.inp
# FFTW changes 
graphite.inp
# FFTW changes 
graphite2.inp
# FFTW changes 
graphite3.inp
# reset for FFT patch 
graphite.inp
# reset for FFT patch 
graphite2.inp
# reset for FFT patch 
graphite3.inp
#  
graphite.inp
#  
graphite2.inp
#  
graphite3.inp
# Refactoring of qs_core_hamiltonian 
graphite2.inp
# speedup changes for core_ppl 
graphite.inp
# speedup changes for core_ppl 
graphite2.inp
# speedup changes for core_ppl 
graphite3.inp
