Fix explicit types for CUDA and provide option to write initial state of system
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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@@ -21,6 +21,7 @@ typedef struct {
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char* input_file;
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char* vtk_file;
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char* xtc_file;
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char* write_atom_file;
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MD_FLOAT epsilon;
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MD_FLOAT sigma;
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MD_FLOAT sigma6;
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@@ -7,8 +7,8 @@
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#ifndef __TIMING_H_
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#define __TIMING_H_
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extern double getTimeStamp();
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extern double getTimeResolution();
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extern double getTimeStamp_();
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extern double getTimeStamp(void);
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extern double getTimeResolution(void);
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extern double getTimeStamp_(void);
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#endif
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@@ -17,6 +17,7 @@ void initParameter(Parameter *param) {
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param->vtk_file = NULL;
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param->xtc_file = NULL;
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param->eam_file = NULL;
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param->write_atom_file = NULL;
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param->force_field = FF_LJ;
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param->epsilon = 1.0;
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param->sigma = 1.0;
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