Fix explicit types for CUDA and provide option to write initial state of system

Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti
2023-12-13 10:52:47 +01:00
parent da3b1dd53f
commit 02629612a9
9 changed files with 42 additions and 11 deletions

View File

@@ -21,6 +21,7 @@ typedef struct {
char* input_file;
char* vtk_file;
char* xtc_file;
char* write_atom_file;
MD_FLOAT epsilon;
MD_FLOAT sigma;
MD_FLOAT sigma6;

View File

@@ -7,8 +7,8 @@
#ifndef __TIMING_H_
#define __TIMING_H_
extern double getTimeStamp();
extern double getTimeResolution();
extern double getTimeStamp_();
extern double getTimeStamp(void);
extern double getTimeResolution(void);
extern double getTimeStamp_(void);
#endif

View File

@@ -17,6 +17,7 @@ void initParameter(Parameter *param) {
param->vtk_file = NULL;
param->xtc_file = NULL;
param->eam_file = NULL;
param->write_atom_file = NULL;
param->force_field = FF_LJ;
param->epsilon = 1.0;
param->sigma = 1.0;