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5/20/2012 by Adam
[unres.git]
/
source
/
wham
/
src
/
readrtns.F
diff --git
a/source/wham/src/readrtns.F
b/source/wham/src/readrtns.F
index
21a484e
..
eb7e462
100644
(file)
--- a/
source/wham/src/readrtns.F
+++ b/
source/wham/src/readrtns.F
@@
-70,6
+70,9
@@
call reada(controlcard,"DELTA",delta,1.0d-2)
call readi(controlcard,"EINICHECK",einicheck,2)
call reada(controlcard,"DELTRMS",deltrms,5.0d-2)
call reada(controlcard,"DELTA",delta,1.0d-2)
call readi(controlcard,"EINICHECK",einicheck,2)
call reada(controlcard,"DELTRMS",deltrms,5.0d-2)
+ call readi(controlcard,"NGRIDT",NGridT,400)
+ call reada(controlcard,"STARTGRIDT",StartGridT,200.0d0)
+ call reada(controlcard,"DELTA_T",Delta_T,1.0d0)
call reada(controlcard,"DELTRGY",deltrgy,5.0d-2)
call readi(controlcard,"RESCALE",rescale_mode,1)
check_conf=index(controlcard,"NO_CHECK_CONF").eq.0
call reada(controlcard,"DELTRGY",deltrgy,5.0d-2)
call readi(controlcard,"RESCALE",rescale_mode,1)
check_conf=index(controlcard,"NO_CHECK_CONF").eq.0
@@
-86,7
+89,10
@@
entfile=index(controlcard,"ENTFILE").gt.0
zscfile=index(controlcard,"ZSCFILE").gt.0
with_dihed_constr = index(controlcard,"WITH_DIHED_CONSTR").gt.0
entfile=index(controlcard,"ENTFILE").gt.0
zscfile=index(controlcard,"ZSCFILE").gt.0
with_dihed_constr = index(controlcard,"WITH_DIHED_CONSTR").gt.0
- write (iout,*) "with_dihed_constr ",with_dihed_constr
+ call readi(controlcard,'CONSTR_DIST',constr_dist,0)
+ write (iout,*) "with_dihed_constr ",with_dihed_constr,
+ & " CONSTR_DIST",constr_dist
+ call flush(iout)
return
end
c------------------------------------------------------------------------------
return
end
c------------------------------------------------------------------------------