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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12315 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-08-14 19:25:12 +00:00
parent b05729b908
commit 18a1c57b56
5 changed files with 25 additions and 15 deletions
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8
src/angle_hybrid.cpp
View File

@ -204,11 +204,13 @@ void AngleHybrid::settings(int narg, char **arg)
keywords = new char*[nstyles];
// allocate each sub-style and call its settings() with subset of args
// allocate uses suffix, but don't store suffix version in keywords,
// else syntax in coeff() will not match
// define subset of args for a sub-style by skipping numeric args
// one exception is 1st arg of style "table", which is non-numeric
// need a better way to skip these exceptions
int sflag;
int dummy;
nstyles = 0;
i = 0;
@ -222,8 +224,8 @@ void AngleHybrid::settings(int narg, char **arg)
if (strcmp(arg[i],"none") == 0)
error->all(FLERR,"Angle style hybrid cannot have none as an argument");
styles[nstyles] = force->new_angle(arg[i],1,sflag);
force->store_style(keywords[nstyles],arg[i],sflag);
styles[nstyles] = force->new_angle(arg[i],1,dummy);
force->store_style(keywords[nstyles],arg[i],0);
istyle = i;
if (strcmp(arg[i],"table") == 0) i++;

8
src/bond_hybrid.cpp
View File

@ -203,11 +203,13 @@ void BondHybrid::settings(int narg, char **arg)
keywords = new char*[nstyles];
// allocate each sub-style and call its settings() with subset of args
// allocate uses suffix, but don't store suffix version in keywords,
// else syntax in coeff() will not match
// define subset of args for a sub-style by skipping numeric args
// one exception is 1st arg of style "table", which is non-numeric
// need a better way to skip these exceptions
int sflag;
int dummy;
nstyles = 0;
i = 0;
@ -220,8 +222,8 @@ void BondHybrid::settings(int narg, char **arg)
if (strcmp(arg[i],"none") == 0)
error->all(FLERR,"Bond style hybrid cannot have none as an argument");
styles[nstyles] = force->new_bond(arg[i],1,sflag);
force->store_style(keywords[nstyles],arg[i],sflag);
styles[nstyles] = force->new_bond(arg[i],1,dummy);
force->store_style(keywords[nstyles],arg[i],0);
istyle = i;
if (strcmp(arg[i],"table") == 0) i++;

8
src/dihedral_hybrid.cpp
View File

@ -205,11 +205,13 @@ void DihedralHybrid::settings(int narg, char **arg)
keywords = new char*[nstyles];
// allocate each sub-style and call its settings() with subset of args
// allocate uses suffix, but don't store suffix version in keywords,
// else syntax in coeff() will not match
// define subset of args for a sub-style by skipping numeric args
// one exception is 1st arg of style "table", which is non-numeric
// need a better way to skip these exceptions
int sflag;
int dummy;
nstyles = 0;
i = 0;
@ -224,8 +226,8 @@ void DihedralHybrid::settings(int narg, char **arg)
if (strcmp(arg[i],"none") == 0)
error->all(FLERR,"Dihedral style hybrid cannot have none as an argument");
styles[nstyles] = force->new_dihedral(arg[i],1,sflag);
force->store_style(keywords[nstyles],arg[i],sflag);
styles[nstyles] = force->new_dihedral(arg[i],1,dummy);
force->store_style(keywords[nstyles],arg[i],0);
istyle = i;
if (strcmp(arg[i],"table") == 0) i++;

8
src/improper_hybrid.cpp
View File

@ -205,11 +205,13 @@ void ImproperHybrid::settings(int narg, char **arg)
keywords = new char*[nstyles];
// allocate each sub-style and call its settings() with subset of args
// allocate uses suffix, but don't store suffix version in keywords,
// else syntax in coeff() will not match
// define subset of args for a sub-style by skipping numeric args
// one exception is 1st arg of style "table", which is non-numeric
// need a better way to skip these exceptions
int sflag;
int dummy;
nstyles = 0;
i = 0;
@ -224,8 +226,8 @@ void ImproperHybrid::settings(int narg, char **arg)
if (strcmp(arg[i],"none") == 0)
error->all(FLERR,"Improper style hybrid cannot have none as an argument");
styles[nstyles] = force->new_improper(arg[i],1,sflag);
force->store_style(keywords[nstyles],arg[i],sflag);
styles[nstyles] = force->new_improper(arg[i],1,dummy);
force->store_style(keywords[nstyles],arg[i],0);
istyle = i;
if (strcmp(arg[i],"table") == 0) i++;

8
src/pair_hybrid.cpp
View File

@ -216,10 +216,12 @@ void PairHybrid::settings(int narg, char **arg)
multiple = new int[narg];
// allocate each sub-style
// allocate uses suffix, but don't store suffix version in keywords,
// else syntax in coeff() will not match
// call settings() with set of args that are not pair style names
// use force->pair_map to determine which args these are
int iarg,jarg,sflag;
int iarg,jarg,dummy;
iarg = 0;
nstyles = 0;
@ -229,8 +231,8 @@ void PairHybrid::settings(int narg, char **arg)
if (strcmp(arg[iarg],"none") == 0)
error->all(FLERR,"Pair style hybrid cannot have none as an argument");
styles[nstyles] = force->new_pair(arg[iarg],1,sflag);
force->store_style(keywords[nstyles],arg[iarg],sflag);
styles[nstyles] = force->new_pair(arg[iarg],1,dummy);
force->store_style(keywords[nstyles],arg[iarg],0);
jarg = iarg + 1;
while (jarg < narg && !force->pair_map->count(arg[jarg])) jarg++;