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more work on dump image

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This commit is contained in:
Steve Plimpton
2022-11-22 16:40:39 -07:00
parent 3683f144a6
commit 9ab4c65f31
6 changed files with 300 additions and 298 deletions
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44
src/utils.cpp
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@ -877,8 +877,8 @@ char *utils::expand_type(const char *file, int line, const std::string &str, int
caller decides what to do if not COMPUTE or FIX
------------------------------------------------------------------------- */
int utils::check_grid_reference(char *errstr, char *ref, int &igrid, int &idata, int &index,
LAMMPS *lmp)
int utils::check_grid_reference(char *errstr, char *ref, int nevery,
char *&id, int &igrid, int &idata, int &index, LAMMPS *lmp)
{
ArgInfo argi(ref, ArgInfo::COMPUTE | ArgInfo::FIX);
index = argi.get_index1();
@ -902,28 +902,28 @@ int utils::check_grid_reference(char *errstr, char *ref, int &igrid, int &idata,
const auto &dname = words[2];
auto icompute = lmp->modify->get_compute_by_id(idcompute);
if (!icompute) lmp->error->all(FLERR,"%s compute ID {} not found",errstr,idcompute);
if (!icompute) lmp->error->all(FLERR,"{} compute ID {} not found",errstr,idcompute);
if (icompute->pergrid_flag == 0)
lmp->error->all(FLERR,"%s compute {} does not compute per-grid info",errstr,idcompute);
lmp->error->all(FLERR,"{} compute {} does not compute per-grid info",errstr,idcompute);
int dim;
igrid = icompute->get_grid_by_name(gname,dim);
if (igrid < 0)
lmp->error->all(FLERR,"%s compute {} does not recognize grid name {}",errstr,idcompute,gname);
lmp->error->all(FLERR,"{} compute {} does not recognize grid name {}",errstr,idcompute,gname);
int ncol;
idata = icompute->get_griddata_by_name(igrid,dname,ncol);
if (idata < 0)
lmp->error->all(FLERR,"%s compute {} does not recognize data name {}",errstr,idcompute,dname);
lmp->error->all(FLERR,"{} compute {} does not recognize data name {}",errstr,idcompute,dname);
if (argi.get_dim() == 0 && ncol)
lmp->error->all(FLERR,"%s compute {} data {} is not per-grid vector",errstr,idcompute,dname);
lmp->error->all(FLERR,"{} compute {} data {} is not per-grid vector",errstr,idcompute,dname);
if (argi.get_dim() && ncol == 0)
lmp->error->all(FLERR,"%s compute {} data {} is not per-grid array",errstr,idcompute,dname);
lmp->error->all(FLERR,"{} compute {} data {} is not per-grid array",errstr,idcompute,dname);
if (argi.get_dim() && argi.get_index1() > ncol)
lmp->error->all(FLERR,"%s compute {} array {} is accessed out-of-range",errstr,idcompute,dname);
lmp->error->all(FLERR,"{} compute {} array {} is accessed out-of-range",errstr,idcompute,dname);
//id = utils::strdup(idcompute);
id = utils::strdup(idcompute);
return ArgInfo::COMPUTE;
} break;
@ -939,30 +939,30 @@ int utils::check_grid_reference(char *errstr, char *ref, int &igrid, int &idata,
const auto &dname = words[2];
auto ifix = lmp->modify->get_fix_by_id(idfix);
if (!ifix) lmp->error->all(FLERR,"%s fix ID {} not found",errstr,idfix);
if (!ifix) lmp->error->all(FLERR,"{} fix ID {} not found",errstr,idfix);
if (ifix->pergrid_flag == 0)
lmp->error->all(FLERR,"%s fix {} does not compute per-grid info",errstr,idfix);
//if (nevery % ifix->pergrid_freq)
// lmp->error->all(FLERR,"%s fix {} not computed at compatible time",errstr,if);
lmp->error->all(FLERR,"{} fix {} does not compute per-grid info",errstr,idfix);
if (nevery % ifix->pergrid_freq)
lmp->error->all(FLERR,"{} fix {} not computed at compatible time",errstr,idfix);
int dim;
int igrid = ifix->get_grid_by_name(gname,dim);
igrid = ifix->get_grid_by_name(gname,dim);
if (igrid < 0)
lmp->error->all(FLERR,"%s fix {} does not recognize grid name {}",errstr,idfix,gname);
lmp->error->all(FLERR,"{} fix {} does not recognize grid name {}",errstr,idfix,gname);
int ncol;
int idata = ifix->get_griddata_by_name(igrid,dname,ncol);
idata = ifix->get_griddata_by_name(igrid,dname,ncol);
if (idata < 0)
lmp->error->all(FLERR,"%s fix {} does not recognize data name {}",errstr,idfix,dname);
lmp->error->all(FLERR,"{} fix {} does not recognize data name {}",errstr,idfix,dname);
if (argi.get_dim() == 0 && ncol)
lmp->error->all(FLERR,"%s fix {} data {} is not per-grid vector",errstr,idfix,dname);
lmp->error->all(FLERR,"{} fix {} data {} is not per-grid vector",errstr,idfix,dname);
if (argi.get_dim() > 0 && ncol == 0)
lmp->error->all(FLERR,"%s fix {} data {} is not per-grid array",errstr,idfix,dname);
lmp->error->all(FLERR,"{} fix {} data {} is not per-grid array",errstr,idfix,dname);
if (argi.get_dim() > 0 && argi.get_index1() > ncol)
lmp->error->all(FLERR,"%s fix {} array {} is accessed out-of-range",errstr,idfix,dname);
lmp->error->all(FLERR,"{} fix {} array {} is accessed out-of-range",errstr,idfix,dname);
//id = utils::strdup(idfix);
id = utils::strdup(idfix);
return ArgInfo::FIX;
} break;
}