ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

improve error message

Browse Source
This commit is contained in:
Axel Kohlmeyer
2023-05-02 12:08:55 -04:00
parent 8ca1e2d417
commit d13096e08b
1 changed files with 5 additions and 5 deletions
Download Patch File Download Diff File Expand all files Collapse all files

10
src/compute_pressure.cpp
View File

@ -36,10 +36,9 @@ using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
ComputePressure::ComputePressure(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg),
vptr(nullptr), id_temp(nullptr), pstyle(nullptr)
Compute(lmp, narg, arg), vptr(nullptr), id_temp(nullptr), pstyle(nullptr)
{
if (narg < 4) error->all(FLERR,"Illegal compute pressure command");
if (narg < 4) utils::missing_cmd_args(FLERR,"compute pressure", error);
if (igroup) error->all(FLERR,"Compute pressure must use group all");
scalar_flag = vector_flag = 1;
@ -52,8 +51,9 @@ ComputePressure::ComputePressure(LAMMPS *lmp, int narg, char **arg) :
// store temperature ID used by pressure computation
// ensure it is valid for temperature computation
if (strcmp(arg[3],"NULL") == 0) id_temp = nullptr;
else {
if (strcmp(arg[3],"NULL") == 0) {
id_temp = nullptr;
} else {
id_temp = utils::strdup(arg[3]);
auto icompute = modify->get_compute_by_id(id_temp);
if (!icompute)