lijiext
/
lammps
mirror of https://github.com/lammps/lammps.git
1
0
Fork 1
Code Issues Packages Projects Releases Wiki Activity

add missing sllod initialization fixes

This commit is contained in:
Axel Kohlmeyer 2022-09-25 07:11:25 -04:00
parent 67a210e6d8
commit 971f5672c9
No known key found for this signature in database
GPG Key ID: D9B44E93BF0C375A
2 changed files with 2 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

1
src/INTEL/fix_nvt_sllod_intel.cpp
View File

@ -51,6 +51,7 @@ FixNVTSllodIntel::FixNVTSllodIntel(LAMMPS *lmp, int narg, char **arg) :
modify->add_compute(fmt::format("{} {} temp/deform", modify->add_compute(fmt::format("{} {} temp/deform",
id_temp,group->names[igroup])); id_temp,group->names[igroup]));
tcomputeflag = 1; tcomputeflag = 1;
nondeformbias = 0;
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */

1
src/KOKKOS/fix_nvt_sllod_kokkos.cpp
View File

@ -56,6 +56,7 @@ FixNVTSllodKokkos<DeviceType>::FixNVTSllodKokkos(LAMMPS *lmp, int narg, char **a
this->id_temp = utils::strdup(std::string(this->id)+"_temp"); this->id_temp = utils::strdup(std::string(this->id)+"_temp");
this->modify->add_compute(fmt::format("{} all temp/deform/kk",this->id_temp)); this->modify->add_compute(fmt::format("{} all temp/deform/kk",this->id_temp));
this->tcomputeflag = 1; this->tcomputeflag = 1;
this->nondeformbias = 0;
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */