Fix errors introduced by last changes

Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti
2021-10-26 01:19:11 +02:00
parent 2dac10469c
commit 40ddc9ad50
7 changed files with 66 additions and 66 deletions

View File

@@ -30,14 +30,12 @@ typedef struct {
MD_FLOAT *x, *y, *z;
MD_FLOAT *vx, *vy, *vz;
MD_FLOAT *fx, *fy, *fz;
#ifdef EXPLICIT_TYPES
int *type;
int ntypes;
MD_FLOAT *epsilon;
MD_FLOAT *sigma6;
MD_FLOAT *cutforcesq;
MD_FLOAT *cutneighsq;
#endif
} Atom;
extern void initAtom(Atom*);

View File

@@ -20,6 +20,8 @@
* with MD-Bench. If not, see <https://www.gnu.org/licenses/>.
* =======================================================================================
*/
#include <stdio.h>
#include <atom.h>
#include <parameter.h>
@@ -34,6 +36,7 @@ typedef struct {
typedef struct {
MD_FLOAT* fp;
int nmax;
int ntypes;
int nrho, nr;
int nrho_tot, nr_tot;
MD_FLOAT dr, rdr, drho, rdrho;
@@ -43,12 +46,12 @@ typedef struct {
Funcfl* file;
} Eam;
void init_eam(Eam* eam, int ntypes);
void initEam(Eam* eam, const char* input_file, int ntypes);
void coeff(Eam* eam, const char* arg);
void init_style(Eam* eam);
void read_file(Funcfl* file, const char* filename);
void file2array(Eam* eam);
void array2spline(Eam* eam);
void interpolate(MMD_int n, MMD_float delta, MMD_float* f, MMD_float* spline);
void grab(FILE* fptr, MMD_int n, MMD_float* list);
void interpolate(int n, MD_FLOAT delta, MD_FLOAT* f, MD_FLOAT* spline);
void grab(FILE* fptr, int n, MD_FLOAT* list);
#endif

View File

@@ -33,6 +33,7 @@
#endif
typedef struct {
int force_field;
char* input_file;
MD_FLOAT epsilon;
MD_FLOAT sigma6;