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Fix issues with new KOKKOS hybrid topo styles

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This commit is contained in:
Stan Moore
2024-07-29 09:29:40 -06:00
parent a4ad184d37
commit d81bf66fe1
2 changed files with 9 additions and 9 deletions
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12
src/KOKKOS/dihedral_hybrid_kokkos.h
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@ -11,7 +11,7 @@
See the README file in the top-level LAMMPS directory. See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
#ifdef BOND_CLASS #ifdef DIHEDRAL_CLASS
// clang-format off // clang-format off
DihedralStyle(hybrid/kk,DihedralHybridKokkos); DihedralStyle(hybrid/kk,DihedralHybridKokkos);
DihedralStyle(hybrid/kk/device,DihedralHybridKokkos); DihedralStyle(hybrid/kk/device,DihedralHybridKokkos);
@ -20,8 +20,8 @@ DihedralStyle(hybrid/kk/host,DihedralHybridKokkos);
#else #else
// clang-format off // clang-format off
#ifndef LMP_BOND_HYBRID_KOKKOS_H #ifndef LMP_DIHEDRAL_HYBRID_KOKKOS_H
#define LMP_BOND_HYBRID_KOKKOS_H #define LMP_DIHEDRAL_HYBRID_KOKKOS_H
#include "dihedral_hybrid.h" #include "dihedral_hybrid.h"
#include "kokkos_type.h" #include "kokkos_type.h"
@ -40,13 +40,13 @@ class DihedralHybridKokkos : public DihedralHybrid {
double memory_usage() override; double memory_usage() override;
private: private:
int maxbond_all; int maxdihedral_all;
class NeighborKokkos *neighborKK; class NeighborKokkos *neighborKK;
DAT::tdual_int_1d k_map; // which style each bond type points to DAT::tdual_int_1d k_map; // which style each bond type points to
DAT::tdual_int_1d k_nbondlist; // # of bonds in sub-style bondlists DAT::tdual_int_1d k_ndihedrallist; // # of bonds in sub-style bondlists
DAT::tdual_int_3d k_bondlist; // bondlist for each sub-style DAT::tdual_int_3d k_dihedrallist; // bondlist for each sub-style
void allocate() override; void allocate() override;
void deallocate() override; void deallocate() override;

6
src/KOKKOS/improper_hybrid_kokkos.h
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@ -11,7 +11,7 @@
See the README file in the top-level LAMMPS directory. See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
#ifdef BOND_CLASS #ifdef IMPROPER_CLASS
// clang-format off // clang-format off
ImproperStyle(hybrid/kk,ImproperHybridKokkos); ImproperStyle(hybrid/kk,ImproperHybridKokkos);
ImproperStyle(hybrid/kk/device,ImproperHybridKokkos); ImproperStyle(hybrid/kk/device,ImproperHybridKokkos);
@ -20,8 +20,8 @@ ImproperStyle(hybrid/kk/host,ImproperHybridKokkos);
#else #else
// clang-format off // clang-format off
#ifndef LMP_BOND_HYBRID_KOKKOS_H #ifndef LMP_IMPROPER_HYBRID_KOKKOS_H
#define LMP_BOND_HYBRID_KOKKOS_H #define LMP_IMPROPER_HYBRID_KOKKOS_H
#include "improper_hybrid.h" #include "improper_hybrid.h"
#include "kokkos_type.h" #include "kokkos_type.h"