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Dzialajacy INTERTYP=1 i INTERTYP=2
[unres.git]
/
source
/
unres
/
src_MD
/
COMMON.SCCOR
diff --git
a/source/unres/src_MD/COMMON.SCCOR
b/source/unres/src_MD/COMMON.SCCOR
index
1c725d7
..
ca6210f
100644
(file)
--- a/
source/unres/src_MD/COMMON.SCCOR
+++ b/
source/unres/src_MD/COMMON.SCCOR
@@
-1,11
+1,16
@@
- Parameters of the SCCOR term
+cc Parameters of the SCCOR term
double precision v1sccor,v2sccor,vlor1sccor,
double precision v1sccor,v2sccor,vlor1sccor,
- & vlor2sccor,vlor3sccor
+ & vlor2sccor,vlor3sccor,gloc_sc,
+ & dcostau,dsintau,dtauangle,dcosomicron,
+ & domicron
integer nterm_sccor,isccortyp,nsccortyp,nlor_sccor
integer nterm_sccor,isccortyp,nsccortyp,nlor_sccor
- common/torsion/v1sccor(maxterm_sccor,20,20),
- & v2sccor(maxterm_sccor,20,20),
+ common/sccor/v1sccor(maxterm_sccor,3,20,20),
+ & v2sccor(maxterm_sccor,3,20,20),
+ & v0sccor(maxterm_sccor,20),
& nterm_sccor(ntyp,ntyp),isccortyp(ntyp),nsccortyp,
& nlor_sccor(ntyp,ntyp),vlor1sccor(maxterm_sccor,20,20),
& vlor2sccor(maxterm_sccor,20,20),
& nterm_sccor(ntyp,ntyp),isccortyp(ntyp),nsccortyp,
& nlor_sccor(ntyp,ntyp),vlor1sccor(maxterm_sccor,20,20),
& vlor2sccor(maxterm_sccor,20,20),
- & vlor3sccor(maxterm_sccor,20,20)
-
+ & vlor3sccor(maxterm_sccor,20,20),gloc_sc(3,0:maxres2,10),
+ & dcostau(3,3,3,maxres2),dsintau(3,3,3,maxres2),
+ & dtauangle(3,3,3,maxres2),dcosomicron(3,3,3,maxres2),
+ & domicron(3,3,3,maxres2)