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improve error messages

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This commit is contained in:
Axel Kohlmeyer
2023-03-01 20:41:13 -05:00
parent a715a56afe
commit 04d3032914
1 changed files with 7 additions and 3 deletions
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10
src/read_data.cpp
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@ -1985,7 +1985,8 @@ void ReadData::paircoeffs()
next = strchr(buf, '\n');
*next = '\0';
parse_coeffs(buf, nullptr, 1, 2, toffset, tlabelflag, lmap->lmap2lmap.atom);
if (ncoeffarg == 0) error->all(FLERR, "Unexpected empty line in PairCoeffs section");
if (ncoeffarg == 0)
error->all(FLERR, "Unexpected empty line in PairCoeffs section. Expected {} lines.", ntypes);
force->pair->coeff(ncoeffarg, coeffarg);
buf = next + 1;
}
@ -2016,7 +2017,9 @@ void ReadData::pairIJcoeffs()
next = strchr(buf, '\n');
*next = '\0';
parse_coeffs(buf, nullptr, 0, 2, toffset, tlabelflag, lmap->lmap2lmap.atom);
if (ncoeffarg == 0) error->all(FLERR, "Unexpected empty line in PairCoeffs section");
if (ncoeffarg == 0)
error->all(FLERR, "Unexpected empty line in PairIJCoeffs section. "
"Expected {} lines.", (ntypes-1)*ntypes);
force->pair->coeff(ncoeffarg, coeffarg);
buf = next + 1;
}
@ -2045,7 +2048,8 @@ void ReadData::bondcoeffs()
next = strchr(buf, '\n');
*next = '\0';
parse_coeffs(buf, nullptr, 0, 1, boffset, blabelflag, lmap->lmap2lmap.bond);
if (ncoeffarg == 0) error->all(FLERR, "Unexpected empty line in BondCoeffs section");
if (ncoeffarg == 0)
error->all(FLERR, "Unexpected empty line in BondCoeffs section. Expected {} lines.", nbondtypes);
force->bond->coeff(ncoeffarg, coeffarg);
buf = next + 1;
}