moebiusband/MD-Bench
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

Small fixes

Browse Source 
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti
2022-08-09 19:19:48 +02:00
parent c18124b066
commit 3d95ec4b0a
3 changed files with 21 additions and 29 deletions
Download Patch File Download Diff File Expand all files Collapse all files

40
lammps/includes/atom.h
View File

@@ -76,27 +76,27 @@ extern int readAtom_in(Atom*, Parameter*);
extern void growAtom(Atom*);
#ifdef AOS
#define POS_DATA_LAYOUT "AoS"
#define atom_x(i) atom->x[(i) * 3 + 0]
#define atom_y(i) atom->x[(i) * 3 + 1]
#define atom_z(i) atom->x[(i) * 3 + 2]
#define atom_vx(i) atom->vx[(i) * 3 + 0]
#define atom_vy(i) atom->vx[(i) * 3 + 1]
#define atom_vz(i) atom->vx[(i) * 3 + 2]
#define atom_fx(i) atom->fx[(i) * 3 + 0]
#define atom_fy(i) atom->fx[(i) * 3 + 1]
#define atom_fz(i) atom->fx[(i) * 3 + 2]
# define POS_DATA_LAYOUT "AoS"
# define atom_x(i) atom->x[(i) * 3 + 0]
# define atom_y(i) atom->x[(i) * 3 + 1]
# define atom_z(i) atom->x[(i) * 3 + 2]
# define atom_vx(i) atom->vx[(i) * 3 + 0]
# define atom_vy(i) atom->vx[(i) * 3 + 1]
# define atom_vz(i) atom->vx[(i) * 3 + 2]
# define atom_fx(i) atom->fx[(i) * 3 + 0]
# define atom_fy(i) atom->fx[(i) * 3 + 1]
# define atom_fz(i) atom->fx[(i) * 3 + 2]
#else
#define POS_DATA_LAYOUT "SoA"
#define atom_x(i) atom->x[i]
#define atom_y(i) atom->y[i]
#define atom_z(i) atom->z[i]
#define atom_vx(i) atom->vx[i]
#define atom_vy(i) atom->vy[i]
#define atom_vz(i) atom->vz[i]
#define atom_fx(i) atom->fx[i]
#define atom_fy(i) atom->fy[i]
#define atom_fz(i) atom->fz[i]
# define POS_DATA_LAYOUT "SoA"
# define atom_x(i) atom->x[i]
# define atom_y(i) atom->y[i]
# define atom_z(i) atom->z[i]
# define atom_vx(i) atom->vx[i]
# define atom_vy(i) atom->vy[i]
# define atom_vz(i) atom->vz[i]
# define atom_fx(i) atom->fx[i]
# define atom_fy(i) atom->fy[i]
# define atom_fz(i) atom->fz[i]
#endif
#endif