geo_opt_bfgs.inp 11
geo_opt_cg_2pnt.inp 11
geo_opt_cg_fit.inp 11
geo_opt_cg_gold.inp 11
geo_opt_lbfgs.inp 11
cell_opt_direct_bfgs.inp 11
cell_opt_direct_cg_2pnt.inp 11
cell_opt_direct_cg_gold.inp 11
cell_opt_direct_lbfgs.inp 11
cell_opt_bfgs_geo_opt_bfgs.inp 11
cell_opt_bfgs_geo_opt_lbfgs.inp 11
cell_opt_cg_2pnt_geo_opt_cg_2pnt.inp 11
cell_opt_cg_2pnt_geo_opt_lbfgs.inp 11
cell_opt_lbfgs_geo_opt_lbfgs.inp 11
cs_geo_opt_bfgs.inp 11
cs_geo_opt_cg_2pnt.inp 11
cs_geo_opt_cg_fit.inp 11
cs_geo_opt_cg_gold.inp 11
cs_geo_opt_lbfgs.inp 11
cs_cell_opt_direct_bfgs.inp 11
cs_cell_opt_direct_cg_2pnt.inp 11
cs_cell_opt_direct_cg_gold.inp 11
cs_cell_opt_direct_lbfgs.inp 11
cs_cell_opt_bfgs_geo_opt_bfgs.inp 11
cs_cell_opt_bfgs_geo_opt_lbfgs.inp 11
cs_cell_opt_cg_2pnt_geo_opt_cg_2pnt.inp 11
cs_cell_opt_cg_2pnt_geo_opt_lbfgs.inp 11
cs_cell_opt_lbfgs_geo_opt_lbfgs.inp 11
#  
cell_opt_direct_lbfgs.inp
#  
cell_opt_bfgs_geo_opt_lbfgs.inp
#  
cell_opt_cg_2pnt_geo_opt_cg_2pnt.inp
#  
cell_opt_cg_2pnt_geo_opt_lbfgs.inp
#  
cell_opt_lbfgs_geo_opt_lbfgs.inp
#  
cs_cell_opt_bfgs_geo_opt_lbfgs.inp
#  
cs_cell_opt_cg_2pnt_geo_opt_cg_2pnt.inp
#  
cs_cell_opt_cg_2pnt_geo_opt_lbfgs.inp
#  
cs_cell_opt_lbfgs_geo_opt_lbfgs.inp
#  
mc_cs_geo_opt_lbfgs.inp
#  
cell_opt_direct_lbfgs.inp
#  
cell_opt_bfgs_geo_opt_lbfgs.inp
#  
cell_opt_cg_2pnt_geo_opt_lbfgs.inp
#  
cell_opt_lbfgs_geo_opt_lbfgs.inp
#  
cs_cell_opt_direct_cg_gold.inp
#  
cs_cell_opt_bfgs_geo_opt_lbfgs.inp
#  
cs_cell_opt_cg_2pnt_geo_opt_cg_2pnt.inp
#  
cs_cell_opt_cg_2pnt_geo_opt_lbfgs.inp
#  
cs_cell_opt_lbfgs_geo_opt_lbfgs.inp
#  
cell_opt_cg_2pnt_geo_opt_cg_2pnt.inp
#improvement of bfgs and curvy steps
geo_opt_bfgs.inp
#improvement of bfgs and curvy steps
cell_opt_bfgs_geo_opt_bfgs.inp
# Numerics: OpenMP parallelisation of Fist nonbonded interactions 
cell_opt_direct_lbfgs.inp
cell_opt_bfgs_geo_opt_lbfgs.inp
cell_opt_cg_2pnt_geo_opt_cg_2pnt.inp
cell_opt_cg_2pnt_geo_opt_lbfgs.inp
cell_opt_lbfgs_geo_opt_lbfgs.inp
cs_cell_opt_direct_cg_gold.inp
cs_cell_opt_bfgs_geo_opt_lbfgs.inp
cs_cell_opt_cg_2pnt_geo_opt_cg_2pnt.inp
cs_cell_opt_cg_2pnt_geo_opt_lbfgs.inp
cs_cell_opt_lbfgs_geo_opt_lbfgs.inp
mc_cs_geo_opt_lbfgs.inp
cell_sym_cubic.inp
cell_sym_hexagonal.inp
cell_sym_monoclinic.inp
cell_sym_none.inp
cell_sym_orthorhombic.inp
cell_sym_rhombohedral.inp
cell_sym_tetragonal_ab.inp
cell_sym_tetragonal_ac.inp
cell_sym_tetragonal_bc.inp
cell_sym_tetragonal.inp
cell_sym_triclinic.inp
# Numerics due to further OpenMP tuning 
cell_opt_direct_lbfgs.inp
cell_opt_cg_2pnt_geo_opt_cg_2pnt.inp
cell_opt_cg_2pnt_geo_opt_lbfgs.inp
cell_opt_lbfgs_geo_opt_lbfgs.inp
cs_cell_opt_direct_cg_gold.inp
cs_cell_opt_cg_2pnt_geo_opt_cg_2pnt.inp
cs_cell_opt_lbfgs_geo_opt_lbfgs.inp
cell_sym_cubic.inp
cell_sym_hexagonal.inp
cell_sym_monoclinic.inp
cell_sym_none.inp
cell_sym_orthorhombic.inp
cell_sym_tetragonal_ab.inp
cell_sym_tetragonal_ac.inp
cell_sym_tetragonal.inp
cell_sym_triclinic.inp
cell_opt_bfgs_geo_opt_lbfgs.inp
cell_sym_rhombohedral.inp
# refactoring
cell_sym_hexagonal.inp
