use {fmt} to write out atomic data (c02c352c) · Commits · 郑智淋 / lammps

src/atom_vec.cpp

+7 −6

Original line number	Diff line number	Diff line
		@@ -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);
		}
		}
		}

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