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change fix adapt header file

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This commit is contained in:
Evangelos Voyiatzis
2025-04-04 17:03:58 +02:00
committed by GitHub
parent 54d7f46151
commit 0879548737
1 changed files with 4 additions and 2 deletions
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6
src/fix_adapt.h
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@ -44,7 +44,7 @@ class FixAdapt : public Fix {
private: private:
int nadapt, resetflag, scaleflag, massflag; int nadapt, resetflag, scaleflag, massflag;
int anypair, anybond, anyangle, anyimproper; int anypair, anybond, anyangle, anydihedral, anyimproper;
int nlevels_respa; int nlevels_respa;
char *id_fix_diam, *id_fix_chg; char *id_fix_diam, *id_fix_chg;
class FixStoreAtom *fix_diam, *fix_chg; class FixStoreAtom *fix_diam, *fix_chg;
@ -57,9 +57,10 @@ class FixAdapt : public Fix {
char *pstyle, *pparam; char *pstyle, *pparam;
char *bstyle, *bparam; char *bstyle, *bparam;
char *astyle, *aparam; char *astyle, *aparam;
char *dstyle, *dparam;
char *istyle, *iparam; char *istyle, *iparam;
int ilo, ihi, jlo, jhi; int ilo, ihi, jlo, jhi;
int pdim, bdim, adim, idim; int pdim, bdim, adim, ddim, idim;
double *scalar, scalar_orig; double *scalar, scalar_orig;
double *vector, *vector_orig; double *vector, *vector_orig;
double **array, **array_orig; double **array, **array_orig;
@ -67,6 +68,7 @@ class FixAdapt : public Fix {
class Pair *pair; class Pair *pair;
class Bond *bond; class Bond *bond;
class Angle *angle; class Angle *angle;
class Dihedral *dihedral;
class Improper *improper; class Improper *improper;
}; };