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correction in shield
[unres.git]
/
source
/
unres
/
src_MD-M
/
checkder_p.F
diff --git
a/source/unres/src_MD-M/checkder_p.F
b/source/unres/src_MD-M/checkder_p.F
index
135aab7
..
270f4cc
100644
(file)
--- a/
source/unres/src_MD-M/checkder_p.F
+++ b/
source/unres/src_MD-M/checkder_p.F
@@
-14,8
+14,8
@@
C Check the gradient of Cartesian coordinates in internal coordinates.
* Check the gradient of the virtual-bond and SC vectors in the internal
* coordinates.
*
* Check the gradient of the virtual-bond and SC vectors in the internal
* coordinates.
*
- aincr=1.0d-7
- aincr2=5.0d-8
+ aincr=1.5d-7
+ aincr2=2.5d-8
call cartder
write (iout,'(a)') '**************** dx/dalpha'
write (iout,'(a)')
call cartder
write (iout,'(a)') '**************** dx/dalpha'
write (iout,'(a)')
@@
-282,7
+282,7
@@
c rlambd=0.3d0
c call intcartderiv
c call checkintcartgrad
call zerograd
c call intcartderiv
c call checkintcartgrad
call zerograd
- aincr=8.0D-6
+ aincr=8.0D-7
write(iout,*) 'Calling CHECK_ECARTINT.'
nf=0
icall=0
write(iout,*) 'Calling CHECK_ECARTINT.'
nf=0
icall=0