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debug part 6
[unres.git]
/
source
/
wham
/
src-M
/
energy_p_new.F
diff --git
a/source/wham/src-M/energy_p_new.F
b/source/wham/src-M/energy_p_new.F
index
bedf32e
..
264cdfc
100644
(file)
--- a/
source/wham/src-M/energy_p_new.F
+++ b/
source/wham/src-M/energy_p_new.F
@@
-929,6
+929,7
@@
C Calculate the radial part of the gradient
C Calculate angular part of the gradient.
call sc_grad
endif
+ write(iout,*) "partial sum", evdw, evdw_t
ENDIF ! dyn_ss
enddo ! j
enddo ! iint