Searched refs:init_geom_mopac_irc_conv (Results 1 – 1 of 1) sorted by relevance
252 DataGeomConv init_geom_mopac_irc_conv(gchar *namefile) in init_geom_mopac_irc_conv() function308 GeomConv[Ncalculs-1] = init_geom_mopac_irc_conv(NomFichier); in find_energy_mopac_irc_output()