ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

use {fmt} to write out atomic data

Browse Source
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
Download Patch File Download Diff File Expand all files Collapse all files

13
src/atom_vec.cpp
View File

@ -25,6 +25,7 @@
#include "error.h" #include "error.h"
#include "utils.h" #include "utils.h"
#include "tokenizer.h" #include "tokenizer.h"
#include "fmt/format.h"
using namespace LAMMPS_NS; using namespace LAMMPS_NS;
using namespace MathConst; using namespace MathConst;
@ -1837,7 +1838,7 @@ void AtomVec::write_data(FILE *fp, int n, double **buf)
int i,j,m,nn,datatype,cols; int i,j,m,nn,datatype,cols;
for (i = 0; i < n; i++) { 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; j = 1;
for (nn = 1; nn < ndata_atom; nn++) { 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) { } else if (datatype == BIGINT) {
if (cols == 0) { if (cols == 0) {
fprintf(fp," " BIGINT_FORMAT,(bigint) ubuf(buf[i][j++]).i); fmt::print(fp," {}",(bigint) ubuf(buf[i][j++]).i);
} else { } else {
for (m = 0; m < cols; m++) 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; int i,j,m,nn,datatype,cols;
for (i = 0; i < n; i++) { 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; j = 1;
for (nn = 1; nn < ndata_vel; nn++) { 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) { } else if (datatype == BIGINT) {
if (cols == 0) { if (cols == 0) {
fprintf(fp," " BIGINT_FORMAT,(bigint) ubuf(buf[i][j++]).i); fmt::print(fp," {}",(bigint) ubuf(buf[i][j++]).i);
} else { } else {
for (m = 0; m < cols; m++) 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);
} }
} }
} }