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use {fmt} to write out atomic data

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This commit is contained in:
Axel Kohlmeyer
2020-06-04 21:56:00 -04:00
parent 439eee3b86
commit c02c352ca2
1 changed files with 7 additions and 6 deletions
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13
src/atom_vec.cpp
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@ -25,6 +25,7 @@
#include "error.h"
#include "utils.h"
#include "tokenizer.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;
using namespace MathConst;
@ -1837,7 +1838,7 @@ void AtomVec::write_data(FILE *fp, int n, double **buf)
int i,j,m,nn,datatype,cols;
for (i = 0; i < n; i++) {
fprintf(fp,TAGINT_FORMAT,(tagint) ubuf(buf[i][0]).i);
fmt::print(fp,"{}",(tagint) ubuf(buf[i][0]).i);
j = 1;
for (nn = 1; nn < ndata_atom; nn++) {
@ -1859,10 +1860,10 @@ void AtomVec::write_data(FILE *fp, int n, double **buf)
}
} else if (datatype == BIGINT) {
if (cols == 0) {
fprintf(fp," " BIGINT_FORMAT,(bigint) ubuf(buf[i][j++]).i);
fmt::print(fp," {}",(bigint) ubuf(buf[i][j++]).i);
} else {
for (m = 0; m < cols; m++)
fprintf(fp," " BIGINT_FORMAT,(bigint) ubuf(buf[i][j++]).i);
fmt::print(fp," {}",(bigint) ubuf(buf[i][j++]).i);
}
}
}
@ -1985,7 +1986,7 @@ void AtomVec::write_vel(FILE *fp, int n, double **buf)
int i,j,m,nn,datatype,cols;
for (i = 0; i < n; i++) {
fprintf(fp,TAGINT_FORMAT,(tagint) ubuf(buf[i][0]).i);
fmt::print(fp,"{}",(tagint) ubuf(buf[i][0]).i);
j = 1;
for (nn = 1; nn < ndata_vel; nn++) {
@ -2007,10 +2008,10 @@ void AtomVec::write_vel(FILE *fp, int n, double **buf)
}
} else if (datatype == BIGINT) {
if (cols == 0) {
fprintf(fp," " BIGINT_FORMAT,(bigint) ubuf(buf[i][j++]).i);
fmt::print(fp," {}",(bigint) ubuf(buf[i][j++]).i);
} else {
for (m = 0; m < cols; m++)
fprintf(fp," " BIGINT_FORMAT,(bigint) ubuf(buf[i][j++]).i);
fmt::print(fp," {}",(bigint) ubuf(buf[i][j++]).i);
}
}
}