ICODE-ADC/lammps
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simplify with new API and address coverity scan warning

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This commit is contained in:
Axel Kohlmeyer
2022-02-04 07:28:59 -05:00
parent efcb402fdc
commit c0bae49956
2 changed files with 6 additions and 8 deletions
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7
src/EXTRA-FIX/fix_numdiff.cpp
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@ -41,7 +41,7 @@ using namespace FixConst;
/* ---------------------------------------------------------------------- */
FixNumDiff::FixNumDiff(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg), id_pe(nullptr), numdiff_forces(nullptr), temp_x(nullptr), temp_f(nullptr)
Fix(lmp, narg, arg), id_pe(nullptr), pe(nullptr), numdiff_forces(nullptr), temp_x(nullptr), temp_f(nullptr)
{
if (narg < 5) error->all(FLERR, "Illegal fix numdiff command");
@ -109,9 +109,8 @@ void FixNumDiff::init()
// check for PE compute
int icompute = modify->find_compute(id_pe);
if (icompute < 0) error->all(FLERR, "Compute ID for fix numdiff does not exist");
pe = modify->compute[icompute];
pe = modify->get_compute_by_id(id_pe);
if (!pe) error->all(FLERR, "PE compute ID for fix numdiff does not exist");
if (force->pair && force->pair->compute_flag)
pair_compute_flag = 1;

7
src/EXTRA-FIX/fix_numdiff_virial.cpp
View File

@ -41,7 +41,7 @@ using namespace FixConst;
/* ---------------------------------------------------------------------- */
FixNumDiffVirial::FixNumDiffVirial(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg), id_pe(nullptr), temp_x(nullptr), temp_f(nullptr)
Fix(lmp, narg, arg), id_pe(nullptr), pe(nullptr), temp_x(nullptr), temp_f(nullptr)
{
if (narg < 5) error->all(FLERR, "Illegal fix numdiff/virial command");
if (igroup) error->all(FLERR, "Compute numdiff/virial must use group all");
@ -121,9 +121,8 @@ void FixNumDiffVirial::init()
{
// check for PE compute
int icompute = modify->find_compute(id_pe);
if (icompute < 0) error->all(FLERR, "Compute ID for fix numdiff does not exist");
pe = modify->compute[icompute];
pe = modify->get_compute_by_id(id_pe);
if (!pe) error->all(FLERR, "PE compute ID for fix numdiff/virial does not exist");
if (force->pair && force->pair->compute_flag)
pair_compute_flag = 1;