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added and corrected error and warning messages

This commit is contained in:
cdt1802 2020-01-13 17:45:38 +00:00
parent 03a7f617eb
commit afcc1d935d
2 changed files with 63 additions and 7 deletions
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12
src/USER-MESOCNT/pair_mesocnt.cpp
View File

@ -489,7 +489,7 @@ void PairMesoCNT::coeff(int narg, char **arg)
ang = force->angstrom;
ang_inv = 1.0 / ang;
if (strcmp(update->unit_style,"lj") == 0)
error->all(FLERR,"mesoCNT does not support lj units");
error->all(FLERR,"Pair style mesocnt does not support lj units");
else if (strcmp(update->unit_style,"real") == 0) eunit = 23.06054966;
else if (strcmp(update->unit_style,"metal") == 0) eunit = 1.0;
else if (strcmp(update->unit_style,"si") == 0) eunit = 1.6021765e-19;
@ -574,9 +574,9 @@ void PairMesoCNT::coeff(int narg, char **arg)
void PairMesoCNT::init_style()
{
if (atom->tag_enable == 0)
error->all(FLERR,"Pair style mesoCNT requires atom IDs");
error->all(FLERR,"Pair style mesocnt requires atom IDs");
if (force->newton_pair == 0)
error->all(FLERR,"Pair style mesoCNT requires newton pair on");
error->all(FLERR,"Pair style mesocnt requires newton pair on");
// need a full neighbor list
@ -591,8 +591,6 @@ void PairMesoCNT::init_style()
double PairMesoCNT::init_one(int i, int j)
{
if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
return cutoff;
}
@ -825,7 +823,7 @@ void PairMesoCNT::read_file(const char *file, double *data,
FILE *fp = force->open_potential(file);
if (fp == NULL) {
std::string str("Cannot open file ");
std::string str("Cannot open mesocnt file ");
str += file;
error->one(FLERR,str.c_str());
}
@ -955,7 +953,7 @@ void PairMesoCNT::read_file(const char *file, double **data,
}
if (syerror) {
char str[128];
sprintf(str,"%d spacings in first column were different\n"
sprintf(str,"%d spacings in second column were different\n"
" from first spacing in pair table ",syerror);
std::string errstr = str;
errstr += file;

58
src/USER-MESOCNT/pair_mesocnt.h
View File

@ -185,3 +185,61 @@ namespace MathExtra {
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
E: Pair style mesocnt does not support lj units
Self-explanatory. Specify different unit system using the units
command.
E: Pair style mesocnt requires atom IDs
Self-explanatory. Turn on atom IDs using the atom_modify command.
E: Pair style mesocnt requires newton pair on
Self-explanatory. Turn on Newton's third law with the newton command.
E: Cannot open mesocnt file %s
The specified mesocnt potential file cannot be opened. Check that the
path and name are correct.
E: Premature end of file in pair table %s
The specified mesocnt potential file is shorter than specified. Check
if the correct file is being used and the right number of data points
was specified in the pair_style
W: %d of %d lines were incomplete or could not be parsed completely
in pair table %s
A number of lines in the specified mesocnt potential file is incomplete
or in the wrong format. Check the file for errors and missing data.
W: %d spacings in the first column were different from the first spacing
in the pair table %s
The spacings between x coordinates in the first column of the specified
mesocnt potential file vary throughout the file. Use a potential file
with higher precision.
W: %d spacings in second column were different from first
spacing in pair table %s
The spacings between y coordinates in the second column of the specified
mesocnt potential file vary throughout the file. Use a potential file
with higher precision.
*/