1 subroutine argos_main() 2c 3c $Id$ 4c 5 implicit none 6c 7#include "argos.fh" 8c 9 if(ntype.eq.0) then 10c 11c single energy 12c ------------- 13c 14 if(nftri.eq.0) then 15 call argos_sp() 16 else 17 call argos_spi() 18 endif 19c 20 elseif(ntype.eq.1) then 21c 22c energy minimization 23c ------------------- 24c 25 call argos_em() 26c 27 elseif(ntype.eq.2) then 28c 29c molecular dynamics 30c ------------------ 31c 32 call argos_md() 33c 34 elseif(ntype.eq.3) then 35c 36c free energy simulation 37c ---------------------- 38c 39 call argos_ti() 40c 41 else 42 call md_abort('Unknown calculation type',ntype) 43 endif 44c 45 return 46 end 47