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error out in fix spring/self/kk with variable spring constant

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This commit is contained in:
Axel Kohlmeyer
2024-11-15 14:33:25 -05:00
parent bca2c4d245
commit ec129f167e
3 changed files with 4 additions and 2 deletions
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3
src/KOKKOS/fix_spring_self_kokkos.cpp
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@ -79,6 +79,9 @@ void FixSpringSelfKokkos<DeviceType>::init()
{
FixSpringSelf::init();
if (kstyle != CONSTANT)
error->all(FLERR, "Fix spring/self/kk does not support variable spring constants (yet)");
if (utils::strmatch(update->integrate_style,"^respa"))
error->all(FLERR,"Cannot (yet) use respa with Kokkos");
}

2
src/fix_spring_self.cpp
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@ -32,8 +32,6 @@
using namespace LAMMPS_NS;
using namespace FixConst;
enum { NONE, CONSTANT, EQUAL, ATOM };
/* ---------------------------------------------------------------------- */
FixSpringSelf::FixSpringSelf(LAMMPS *lmp, int narg, char **arg) :

1
src/fix_spring_self.h
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@ -26,6 +26,7 @@ namespace LAMMPS_NS {
class FixSpringSelf : public Fix {
public:
enum { NONE, CONSTANT, EQUAL, ATOM };
FixSpringSelf(class LAMMPS *, int, char **);
~FixSpringSelf() override;
int setmask() override;