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require a minimum of 2 values for writing tables

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This commit is contained in:
Axel Kohlmeyer
2023-01-05 23:28:20 -05:00
parent 66fff95455
commit 8beb718b37
4 changed files with 5 additions and 0 deletions
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1
src/angle_write.cpp
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@ -66,6 +66,7 @@ void AngleWrite::command(int narg, char **arg)
int n = utils::inumeric(FLERR, arg[1], false, lmp); int n = utils::inumeric(FLERR, arg[1], false, lmp);
std::string table_file = arg[2]; std::string table_file = arg[2];
std::string keyword = arg[3]; std::string keyword = arg[3];
if (n < 2) error->all(FLERR, "Must have at least 2 table values");
// make sure system is initialized before calling any functions // make sure system is initialized before calling any functions

1
src/bond.cpp
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@ -362,6 +362,7 @@ void Bond::write_file(int narg, char **arg)
if ((inner <= 0.0) || (inner >= outer)) if ((inner <= 0.0) || (inner >= outer))
error->all(FLERR, "Invalid rlo={} / rhi={} values in bond_write command.", inner, outer); error->all(FLERR, "Invalid rlo={} / rhi={} values in bond_write command.", inner, outer);
if (n < 2) error->all(FLERR, "Must have at least 2 table values");
double r0 = equilibrium_distance(btype); double r0 = equilibrium_distance(btype);
// open file in append mode if exists // open file in append mode if exists

1
src/dihedral_write.cpp
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@ -69,6 +69,7 @@ void DihedralWrite::command(int narg, char **arg)
int n = utils::inumeric(FLERR, arg[1], false, lmp); int n = utils::inumeric(FLERR, arg[1], false, lmp);
std::string table_file = arg[2]; std::string table_file = arg[2];
std::string keyword = arg[3]; std::string keyword = arg[3];
if (n < 2) error->all(FLERR, "Must have at least 2 table values");
// make sure system is initialized before calling any functions // make sure system is initialized before calling any functions

2
src/pair.cpp
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@ -1806,6 +1806,8 @@ void Pair::write_file(int narg, char **arg)
else if (strcmp(arg[3],"bitmap") == 0) style = BMP; else if (strcmp(arg[3],"bitmap") == 0) style = BMP;
else error->all(FLERR,"Invalid style in pair_write command"); else error->all(FLERR,"Invalid style in pair_write command");
if (n < 2) error->all(FLERR, "Must have at least 2 table values");
double inner = utils::numeric(FLERR,arg[4],false,lmp); double inner = utils::numeric(FLERR,arg[4],false,lmp);
double outer = utils::numeric(FLERR,arg[5],false,lmp); double outer = utils::numeric(FLERR,arg[5],false,lmp);
if (inner <= 0.0 || inner >= outer) if (inner <= 0.0 || inner >= outer)