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checkgrad_inc added to input for checkgrad cart
[unres.git]
/
source
/
unres
/
src_MD
/
checkder_p.F
diff --git
a/source/unres/src_MD/checkder_p.F
b/source/unres/src_MD/checkder_p.F
index
1896218
..
05ea860
100644
(file)
--- a/
source/unres/src_MD/checkder_p.F
+++ b/
source/unres/src_MD/checkder_p.F
@@
-284,8
+284,9
@@
C Check the gradient of the energy in Cartesian coordinates.
c call intcartderiv
c call checkintcartgrad
call zerograd
- aincr=1.0D-4
- write(iout,*) 'Calling CHECK_ECARTINT.'
+c aincr=1.0D-4
+ aincr=checkgrad_inc
+ write(iout,*) 'Calling CHECK_ECARTINT.',aincr
nf=0
icall=0
call geom_to_var(nvar,x)