#include <stdio.h>
int main()
{
/* maybe the buffer must be greater */
char lineBuffer[256];
// FILE *potential = fopen("orderedfile.txt", "r");
/* loop through every line */
while (fgets(lineBuffer
, sizeof(lineBuffer
), stdin
) != NULL
) {
double a, b, c;
/* if there are 3 items matched print them */
if (3 == sscanf(lineBuffer
, "%lf %lf %*f %lf", &a
, &b
, &c
)) {
printf("%f %f %f\n", a
, b
, c
); }
}
// fclose(potential);
return 0;
}
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BEGIN header
Real Lattice(A) Lattice parameters(A) Cell Angles
2.4675850 0.0000000 0.0000000 a = 2.467585 alpha = 90.000000
0.0000000 30.0000000 0.0000000 b = 30.000000 beta = 90.000000
0.0000000 0.0000000 30.0000000 c = 30.000000 gamma = 90.000000
1 ! nspins
25 300 300 ! fine FFT grid along <a,b,c>
END header: data is "<a b c> pot" in units of Hartrees
1 1 1 0.042580
1 1 2 0.049331
1 1 3 0.038605
1 1 4 0.049181