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adam's update
[unres.git]
/
source
/
unres
/
src-HCD-5D
/
lbfgs.F
diff --git
a/source/unres/src-HCD-5D/lbfgs.F
b/source/unres/src-HCD-5D/lbfgs.F
index
9173d45
..
dabcbb3
100644
(file)
--- a/
source/unres/src-HCD-5D/lbfgs.F
+++ b/
source/unres/src-HCD-5D/lbfgs.F
@@
-82,6
+82,7
@@
c
character*240 record
character*240 string
external fgvalue,optsave
character*240 record
character*240 string
external fgvalue,optsave
+ common /lbfgstat/ status,niter,ncalls
c
c
c initialize some values to be used below
c
c
c initialize some values to be used below
@@
-254,6
+255,7
@@
c start of a new limited memory BFGS iteration
c
do while (.not. done)
niter = niter + 1
c
do while (.not. done)
niter = niter + 1
+c write (jout,*) "LBFGS niter",niter
muse = min(niter-1,msav)
m = m + 1
if (m .gt. msav) m = 1
muse = min(niter-1,msav)
m = m + 1
if (m .gt. msav) m = 1
@@
-304,7
+306,9
@@
c
c perform line search along the new conjugate direction
c
status = blank
c perform line search along the new conjugate direction
c
status = blank
+c write (jout,*) "Before search"
call search (nvar,f,g,x0,p,f_move,angle,ncalls,fgvalue,status)
call search (nvar,f,g,x0,p,f_move,angle,ncalls,fgvalue,status)
+c write (jout,*) "After search"
c
c update variables based on results of this iteration
c
c
c update variables based on results of this iteration
c