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Fix a few more bugs on gromacs variant

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti
2022-01-31 23:46:20 +01:00
parent e0e6b6a68c
commit e64c3345bc
7 changed files with 85 additions and 28 deletions
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2
gromacs/includes/atom.h
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@@ -25,8 +25,8 @@
#ifndef __ATOM_H_
#define __ATOM_H_
#define CLUSTER_DIM_N 4
#define CLUSTER_DIM_M 4
#define CLUSTER_DIM_N 4
typedef struct {
int bin;

3
gromacs/includes/vtk.h
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@@ -24,5 +24,6 @@
#ifndef __VTK_H_
#define __VTK_H_
extern int write_atoms_to_vtk_file(const char* filename, Atom* atom, int timestep);
extern int write_local_atoms_to_vtk_file(const char* filename, Atom* atom, int timestep);
extern int write_ghost_atoms_to_vtk_file(const char* filename, Atom* atom, int timestep);
#endif