call exec_mult_eeval_or_minim
else if (modecalc.eq.5) then
call exec_checkgrad
+ call exec_checkgrad
else if (ModeCalc.eq.7) then
call exec_map
else if (ModeCalc.eq.8) then
common /srutu/ icall
double precision energy(0:n_ene)
double precision energy_long(0:n_ene),energy_short(0:n_ene)
+ double precision varia(maxvar)
if (indpdb.eq.0) call chainbuild
time00=MPI_Wtime()
call chainbuild_cart
write (iout,*) "Uconst",Uconst," Uconst_back",uconst_back
print *,'icheckgrad=',icheckgrad
goto (10,20,30) icheckgrad
- 10 call check_ecartint
+ 10 print *,'kurwa0'
+ call check_ecartint
+ print *,'kurwa'
+ call check_ecartint
return
- 20 call check_cartgrad
+ 20 print *,'ja pierdole'
+ call check_cartgrad
+ call check_cartgrad
return
30 call check_eint
return