Fix errors introduced by last changes
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
@@ -30,14 +30,12 @@ typedef struct {
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MD_FLOAT *x, *y, *z;
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MD_FLOAT *vx, *vy, *vz;
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MD_FLOAT *fx, *fy, *fz;
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#ifdef EXPLICIT_TYPES
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int *type;
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int ntypes;
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MD_FLOAT *epsilon;
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MD_FLOAT *sigma6;
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MD_FLOAT *cutforcesq;
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MD_FLOAT *cutneighsq;
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#endif
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} Atom;
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extern void initAtom(Atom*);
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@@ -20,6 +20,8 @@
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* with MD-Bench. If not, see <https://www.gnu.org/licenses/>.
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* =======================================================================================
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*/
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#include <stdio.h>
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#include <atom.h>
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#include <parameter.h>
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@@ -34,6 +36,7 @@ typedef struct {
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typedef struct {
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MD_FLOAT* fp;
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int nmax;
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int ntypes;
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int nrho, nr;
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int nrho_tot, nr_tot;
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MD_FLOAT dr, rdr, drho, rdrho;
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@@ -43,12 +46,12 @@ typedef struct {
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Funcfl* file;
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} Eam;
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void init_eam(Eam* eam, int ntypes);
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void initEam(Eam* eam, const char* input_file, int ntypes);
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void coeff(Eam* eam, const char* arg);
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void init_style(Eam* eam);
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void read_file(Funcfl* file, const char* filename);
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void file2array(Eam* eam);
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void array2spline(Eam* eam);
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void interpolate(MMD_int n, MMD_float delta, MMD_float* f, MMD_float* spline);
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void grab(FILE* fptr, MMD_int n, MMD_float* list);
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void interpolate(int n, MD_FLOAT delta, MD_FLOAT* f, MD_FLOAT* spline);
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void grab(FILE* fptr, int n, MD_FLOAT* list);
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#endif
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@@ -33,6 +33,7 @@
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#endif
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typedef struct {
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int force_field;
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char* input_file;
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MD_FLOAT epsilon;
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MD_FLOAT sigma6;
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