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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11700 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-04-04 16:36:51 +00:00
parent 3e9c22df24
commit 1646c124b1
19 changed files with 75 additions and 116 deletions
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6
src/read_data.cpp
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@ -1352,6 +1352,7 @@ void ReadData::paircoeffs()
next = strchr(buf,'\n');
*next = '\0';
parse_coeffs(buf,NULL,1);
if (narg == 0) error->all(FLERR,"Unexpected end of PairCoeffs section");
force->pair->coeff(narg,arg);
buf = next + 1;
}
@ -1377,6 +1378,7 @@ void ReadData::pairIJcoeffs()
next = strchr(buf,'\n');
*next = '\0';
parse_coeffs(buf,NULL,0);
if (narg == 0) error->all(FLERR,"Unexpected end of PairCoeffs section");
force->pair->coeff(narg,arg);
buf = next + 1;
}
@ -1398,6 +1400,7 @@ void ReadData::bondcoeffs()
next = strchr(buf,'\n');
*next = '\0';
parse_coeffs(buf,NULL,0);
if (narg == 0) error->all(FLERR,"Unexpected end of BondCoeffs section");
force->bond->coeff(narg,arg);
buf = next + 1;
}
@ -1421,6 +1424,7 @@ void ReadData::anglecoeffs(int which)
if (which == 0) parse_coeffs(buf,NULL,0);
else if (which == 1) parse_coeffs(buf,"bb",0);
else if (which == 2) parse_coeffs(buf,"ba",0);
if (narg == 0) error->all(FLERR,"Unexpected end of AngleCoeffs section");
force->angle->coeff(narg,arg);
buf = next + 1;
}
@ -1447,6 +1451,7 @@ void ReadData::dihedralcoeffs(int which)
else if (which == 3) parse_coeffs(buf,"at",0);
else if (which == 4) parse_coeffs(buf,"aat",0);
else if (which == 5) parse_coeffs(buf,"bb13",0);
if (narg == 0) error->all(FLERR,"Unexpected end of DihedralCoeffs section");
force->dihedral->coeff(narg,arg);
buf = next + 1;
}
@ -1469,6 +1474,7 @@ void ReadData::impropercoeffs(int which)
*next = '\0';
if (which == 0) parse_coeffs(buf,NULL,0);
else if (which == 1) parse_coeffs(buf,"aa",0);
if (narg == 0) error->all(FLERR,"Unexpected end of ImproperCoeffs section");
force->improper->coeff(narg,arg);
buf = next + 1;
}