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Merge branch 'prerelease-3.2.1'
[unres.git]
/
source
/
unres
/
src_MD-M
/
minimize_p.F
diff --git
a/source/unres/src_MD-M/minimize_p.F
b/source/unres/src_MD-M/minimize_p.F
index
06c7a73
..
0679909
100644
(file)
--- a/
source/unres/src_MD-M/minimize_p.F
+++ b/
source/unres/src_MD-M/minimize_p.F
@@
-17,6
+17,7
@@
include 'COMMON.VAR'
include 'COMMON.GEO'
include 'COMMON.MINIM'
include 'COMMON.VAR'
include 'COMMON.GEO'
include 'COMMON.MINIM'
+ include 'COMMON.CONTROL'
common /srutu/ icall
dimension iv(liv)
double precision minval,x(maxvar),d(maxvar),v(1:lv),xx(maxvar)
common /srutu/ icall
dimension iv(liv)
double precision minval,x(maxvar),d(maxvar),v(1:lv),xx(maxvar)
@@
-24,7
+25,7
@@
external func,gradient,fdum
external func_restr,grad_restr
logical not_done,change,reduce
external func,gradient,fdum
external func_restr,grad_restr
logical not_done,change,reduce
- common /przechowalnia/ v
+c common /przechowalnia/ v
icall = 1
icall = 1
@@
-416,7
+417,7
@@
c----------------------------------------------------------
include 'COMMON.CHAIN'
dimension iv(liv)
double precision minval,x(maxvar),d(maxvar),v(1:lv),xx(maxvar)
include 'COMMON.CHAIN'
dimension iv(liv)
double precision minval,x(maxvar),d(maxvar),v(1:lv),xx(maxvar)
- common /przechowalnia/ v
+c common /przechowalnia/ v
double precision energia(0:n_ene)
external func_dc,grad_dc,fdum
double precision energia(0:n_ene)
external func_dc,grad_dc,fdum
@@
-436,7
+437,7
@@
c----------------------------------------------------------
iv(19)=2
* selects output unit
iv(21)=0
iv(19)=2
* selects output unit
iv(21)=0
- if (print_min_ini+print_min_stat+print_min_res.gt.0) iv(21)=iout
+ if (print_min_ini+print_min_stat+print_min_res.gt.0) iv(21)=iout
* 1 means to print out result
iv(22)=print_min_res
* 1 means to print out summary stats
* 1 means to print out result
iv(22)=print_min_res
* 1 means to print out summary stats