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Add support for (transparently) reading binary sparseX files #686

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17 changes: 16 additions & 1 deletion src/libAtoms/cutil.c
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Original file line number Diff line number Diff line change
Expand Up @@ -202,13 +202,28 @@ void fwrite_array_d_(int *size, double *v, char *filename) {
fclose(fp);
}

void fwrite_array_d_bin_(int *size, double *v, char *filename) {
FILE *fp;
int i;
fp = fopen(filename, "w");
fwrite(v, *size, sizeof(double), fp);
fclose(fp);
}

void fread_array_d_(int *size, double *v, char *filename) {
FILE *fp;
int i;

fp = fopen(filename, "r");
for (i=0; i < *size; i++) {
fscanf(fp, "%lf", v+i);
int n_read = fscanf(fp, "%lf", v+i);
if (i == 0 && n_read <= 0) {
// try binary
fclose(fp);
fp = fopen(filename, "r");
fread(v, *size, sizeof(double), fp);
break;
}
}
fclose(fp);
}
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2 changes: 1 addition & 1 deletion src/libAtoms/xyz.c
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Original file line number Diff line number Diff line change
Expand Up @@ -49,7 +49,7 @@

#include "libatoms.h"

#define LINESIZE 2048
#define LINESIZE 20480
#define MAX_ENTRY_COUNT 200
#define MAX_FIELD_COUNT 200
#define PROPERTY_STRING_LENGTH 10
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