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Adjust code with DEM to be compilable

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti
2022-07-06 01:07:39 +02:00
parent bb599c9ea8
commit 79483a446e
9 changed files with 116 additions and 96 deletions
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8
lammps/includes/atom.h
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@@ -38,7 +38,7 @@ typedef struct {
MD_FLOAT *cutforcesq;
MD_FLOAT *cutneighsq;
// DEM
MD_FLOAT radius;
MD_FLOAT *radius;
MD_FLOAT *av;
MD_FLOAT *r;
} Atom;
@@ -56,6 +56,9 @@ extern void growAtom(Atom*);
#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]
@@ -64,6 +67,9 @@ extern void growAtom(Atom*);
#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]

4
lammps/includes/parameter.h
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@@ -58,6 +58,10 @@ typedef struct {
MD_FLOAT xprd, yprd, zprd;
double proc_freq;
char* eam_file;
// DEM
MD_FLOAT k_s;
MD_FLOAT k_dn;
MD_FLOAT gx, gy, gz;
} Parameter;
void initParameter(Parameter*);