t_etotal=t_etotal+tcpu()-tt0
#endif
#endif
- potE=potEcomp(0)-potEcomp(20)
+ potE=potEcomp(0)-potEcomp(27)
call cartgrad
c Get the new accelerations
call lagrangian
do i=0,n_ene
potEcomp(i)=energia_short(i)+energia_long(i)
enddo
- potE=potEcomp(0)-potEcomp(20)
+ potE=potEcomp(0)-potEcomp(27)
if (ntwe.ne.0) then
if (large.and. mod(itime,ntwe).eq.0) then
call enerprint(potEcomp)
#endif
#endif
potE=potEcomp(0)
+c write (iout,*) "PotE-homology",potE-potEcomp(27)
call cartgrad
call lagrangian
call max_accel
if(me.eq.king.or..not.out1file)then
write(iout,*) "Potential energy and its components"
call enerprint(potEcomp)
- write(iout,*) (potEcomp(i),i=0,n_ene)
+c write(iout,*) (potEcomp(i),i=0,n_ene)
endif
- potE=potEcomp(0)-potEcomp(20)
+ potE=potEcomp(0)-potEcomp(27)
+c write (iout,*) "PotE-homology",potE
totE=EK+potE
itime=0
if (ntwe.ne.0) call statout(itime)