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debug on for ions
[unres4.git]
/
source
/
unres
/
geometry.F90
diff --git
a/source/unres/geometry.F90
b/source/unres/geometry.F90
index
76cee6a
..
eb84c8d
100644
(file)
--- a/
source/unres/geometry.F90
+++ b/
source/unres/geometry.F90
@@
-845,7
+845,9
@@
enddo
if (nsi.gt.maxsi) return 1
endif ! it1.ne.10
enddo
if (nsi.gt.maxsi) return 1
endif ! it1.ne.10
+ write(iout,*) "before origin_frame"
call orig_frame
call orig_frame
+ write(iout,*) "after origin_frame"
i=4
nstart=4
else
i=4
nstart=4
else
@@
-1169,7
+1171,7
@@
return
endif
if (nlobit.eq.0) then
return
endif
if (nlobit.eq.0) then
- al=ran_number(0.05d0,pi/6)
+ al=ran_number(0.05d0,pi/2)
om=ran_number(-pi,pi)
return
endif
om=ran_number(-pi,pi)
return
endif
@@
-1640,6
+1642,7
@@
chiom1=chi1*om1
chiom2=chi2*om2
facsig=om1*chiom1+om2*chiom2-2.0D0*om1om2*chiom12
chiom1=chi1*om1
chiom2=chi2*om2
facsig=om1*chiom1+om2*chiom2-2.0D0*om1om2*chiom12
+! print *,"TUT?",om1*chiom1,facsig,om1,om2,om12
sigsq=1.0D0-facsig*faceps1_inv
sigsq_om1=(chiom1-chiom12*om2)*faceps1_inv
sigsq_om2=(chiom2-chiom12*om1)*faceps1_inv
sigsq=1.0D0-facsig*faceps1_inv
sigsq_om1=(chiom1-chiom12*om2)*faceps1_inv
sigsq_om2=(chiom2-chiom12*om1)*faceps1_inv