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

replace more uses of XXXINT_FORMAT with fmtlib

Browse Source
This commit is contained in:
Axel Kohlmeyer
2022-03-30 13:53:25 -04:00
parent 9aad583c7d
commit c4729b39b4
10 changed files with 89 additions and 79 deletions
Download Patch File Download Diff File Expand all files Collapse all files

48
src/dump_atom.cpp
View File

@ -289,19 +289,21 @@ void DumpAtom::header_item(bigint ndump)
{ {
if (unit_flag && !unit_count) { if (unit_flag && !unit_count) {
++unit_count; ++unit_count;
fprintf(fp,"ITEM: UNITS\n%s\n",update->unit_style); fmt::print(fp,"ITEM: UNITS\n{}\n",update->unit_style);
} }
if (time_flag) fprintf(fp,"ITEM: TIME\n%.16g\n",compute_time()); if (time_flag) fmt::print(fp,"ITEM: TIME\n{:.16}\n",compute_time());
fprintf(fp,"ITEM: TIMESTEP\n"); fmt::print(fp,"ITEM: TIMESTEP\n{}\n"
fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep); "ITEM: NUMBER OF ATOMS\n{}\n",
fprintf(fp,"ITEM: NUMBER OF ATOMS\n"); update->ntimestep, ndump);
fprintf(fp,BIGINT_FORMAT "\n",ndump);
fprintf(fp,"ITEM: BOX BOUNDS %s\n",boundstr); fmt::print(fp,"ITEM: BOX BOUNDS {}\n"
fprintf(fp,"%-1.16e %-1.16e\n",boxxlo,boxxhi); "{:>1.16e} {:>1.16e}\n"
fprintf(fp,"%-1.16e %-1.16e\n",boxylo,boxyhi); "{:>1.16e} {:>1.16e}\n"
fprintf(fp,"%-1.16e %-1.16e\n",boxzlo,boxzhi); "{:>1.16e} {:>1.16e}\n",
fprintf(fp,"ITEM: ATOMS %s\n",columns); boundstr,boxxlo,boxxhi,boxylo,boxyhi,boxzlo,boxzhi);
fmt::print(fp,"ITEM: ATOMS {}\n",columns);
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
@ -310,19 +312,21 @@ void DumpAtom::header_item_triclinic(bigint ndump)
{ {
if (unit_flag && !unit_count) { if (unit_flag && !unit_count) {
++unit_count; ++unit_count;
fprintf(fp,"ITEM: UNITS\n%s\n",update->unit_style); fmt::print(fp,"ITEM: UNITS\n{}\n",update->unit_style);
} }
if (time_flag) fprintf(fp,"ITEM: TIME\n%.16g\n",compute_time()); if (time_flag) fmt::print(fp,"ITEM: TIME\n{:.16}\n",compute_time());
fprintf(fp,"ITEM: TIMESTEP\n"); fmt::print(fp,"ITEM: TIMESTEP\n{}\n"
fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep); "ITEM: NUMBER OF ATOMS\n{}\n",
fprintf(fp,"ITEM: NUMBER OF ATOMS\n"); update->ntimestep, ndump);
fprintf(fp,BIGINT_FORMAT "\n",ndump);
fprintf(fp,"ITEM: BOX BOUNDS xy xz yz %s\n",boundstr); fmt::print(fp,"ITEM: BOX BOUNDS xy xz yz {}\n"
fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxxlo,boxxhi,boxxy); "{:>1.16e} {:>1.16e} {:>1.16e}\n"
fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxylo,boxyhi,boxxz); "{:>1.16e} {:>1.16e} {:>1.16e}\n"
fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxzlo,boxzhi,boxyz); "{:>1.16e} {:>1.16e} {:>1.16e}\n",
fprintf(fp,"ITEM: ATOMS %s\n",columns); boundstr,boxxlo,boxxhi,boxxy,boxylo,boxyhi,boxxz,boxzlo,boxzhi,boxyz);
fmt::print(fp,"ITEM: ATOMS {}\n",columns);
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */

2
src/dump_cfg.cpp
View File

@ -123,7 +123,7 @@ void DumpCFG::write_header(bigint n)
if (atom->peri_flag) scale = atom->pdscale; if (atom->peri_flag) scale = atom->pdscale;
else if (unwrapflag == 1) scale = UNWRAPEXPAND; else if (unwrapflag == 1) scale = UNWRAPEXPAND;
fprintf(fp,"Number of particles = " BIGINT_FORMAT "\n", n); fmt::print(fp,"Number of particles = {}\n", n);
fprintf(fp,"A = %g Angstrom (basic length-scale)\n",scale); fprintf(fp,"A = %g Angstrom (basic length-scale)\n",scale);
fprintf(fp,"H0(1,1) = %g A\n",domain->xprd); fprintf(fp,"H0(1,1) = %g A\n",domain->xprd);
fprintf(fp,"H0(1,2) = 0 A \n"); fprintf(fp,"H0(1,2) = 0 A \n");

48
src/dump_custom.cpp
View File

@ -507,19 +507,21 @@ void DumpCustom::header_item(bigint ndump)
{ {
if (unit_flag && !unit_count) { if (unit_flag && !unit_count) {
++unit_count; ++unit_count;
fprintf(fp,"ITEM: UNITS\n%s\n",update->unit_style); fmt::print(fp,"ITEM: UNITS\n{}\n",update->unit_style);
} }
if (time_flag) fprintf(fp,"ITEM: TIME\n%.16g\n",compute_time()); if (time_flag) fmt::print(fp,"ITEM: TIME\n{:.16}\n",compute_time());
fprintf(fp,"ITEM: TIMESTEP\n"); fmt::print(fp,"ITEM: TIMESTEP\n{}\n"
fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep); "ITEM: NUMBER OF ATOMS\n{}\n",
fprintf(fp,"ITEM: NUMBER OF ATOMS\n"); update->ntimestep, ndump);
fprintf(fp,BIGINT_FORMAT "\n",ndump);
fprintf(fp,"ITEM: BOX BOUNDS %s\n",boundstr); fmt::print(fp,"ITEM: BOX BOUNDS {}\n"
fprintf(fp,"%-1.16e %-1.16e\n",boxxlo,boxxhi); "{:>1.16e} {:>1.16e}\n"
fprintf(fp,"%-1.16e %-1.16e\n",boxylo,boxyhi); "{:>1.16e} {:>1.16e}\n"
fprintf(fp,"%-1.16e %-1.16e\n",boxzlo,boxzhi); "{:>1.16e} {:>1.16e}\n",
fprintf(fp,"ITEM: ATOMS %s\n",columns); boundstr,boxxlo,boxxhi,boxylo,boxyhi,boxzlo,boxzhi);
fmt::print(fp,"ITEM: ATOMS {}\n",columns);
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
@ -528,19 +530,21 @@ void DumpCustom::header_item_triclinic(bigint ndump)
{ {
if (unit_flag && !unit_count) { if (unit_flag && !unit_count) {
++unit_count; ++unit_count;
fprintf(fp,"ITEM: UNITS\n%s\n",update->unit_style); fmt::print(fp,"ITEM: UNITS\n{}\n",update->unit_style);
} }
if (time_flag) fprintf(fp,"ITEM: TIME\n%.16g\n",compute_time()); if (time_flag) fmt::print(fp,"ITEM: TIME\n{:.16}\n",compute_time());
fprintf(fp,"ITEM: TIMESTEP\n"); fmt::print(fp,"ITEM: TIMESTEP\n{}\n"
fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep); "ITEM: NUMBER OF ATOMS\n{}\n",
fprintf(fp,"ITEM: NUMBER OF ATOMS\n"); update->ntimestep, ndump);
fprintf(fp,BIGINT_FORMAT "\n",ndump);
fprintf(fp,"ITEM: BOX BOUNDS xy xz yz %s\n",boundstr); fmt::print(fp,"ITEM: BOX BOUNDS xy xz yz {}\n"
fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxxlo,boxxhi,boxxy); "{:>1.16e} {:>1.16e} {:>1.16e}\n"
fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxylo,boxyhi,boxxz); "{:>1.16e} {:>1.16e} {:>1.16e}\n"
fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxzlo,boxzhi,boxyz); "{:>1.16e} {:>1.16e} {:>1.16e}\n",
fprintf(fp,"ITEM: ATOMS %s\n",columns); boundstr,boxxlo,boxxhi,boxxy,boxylo,boxyhi,boxxz,boxzlo,boxzhi,boxyz);
fmt::print(fp,"ITEM: ATOMS {}\n",columns);
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */

36
src/dump_local.cpp
View File

@ -242,8 +242,7 @@ int DumpLocal::modify_param(int narg, char **arg)
// use of &str[1] removes leading '%' from BIGINT_FORMAT string // use of &str[1] removes leading '%' from BIGINT_FORMAT string
char *ptr = strchr(format_int_user,'d'); char *ptr = strchr(format_int_user,'d');
if (ptr == nullptr) if (ptr == nullptr)
error->all(FLERR, error->all(FLERR, "Dump_modify int format does not contain d character");
"Dump_modify int format does not contain d character");
char str[8]; char str[8];
sprintf(str,"%s",BIGINT_FORMAT); sprintf(str,"%s",BIGINT_FORMAT);
*ptr = '\0'; *ptr = '\0';
@ -273,26 +272,29 @@ void DumpLocal::write_header(bigint ndump)
if (me == 0) { if (me == 0) {
if (unit_flag && !unit_count) { if (unit_flag && !unit_count) {
++unit_count; ++unit_count;
fprintf(fp,"ITEM: UNITS\n%s\n",update->unit_style); fmt::print(fp,"ITEM: UNITS\n{}\n",update->unit_style);
} }
if (time_flag) fprintf(fp,"ITEM: TIME\n%.16g\n",compute_time()); if (time_flag) fmt::print(fp,"ITEM: TIME\n{:.16}\n",compute_time());
fmt::print(fp,"ITEM: TIMESTEP\n{}\n"
"ITEM: NUMBER OF {}\n{}\n",
update->ntimestep, label, ndump);
fprintf(fp,"ITEM: TIMESTEP\n");
fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep);
fprintf(fp,"ITEM: NUMBER OF %s\n",label);
fprintf(fp,BIGINT_FORMAT "\n",ndump);
if (domain->triclinic) { if (domain->triclinic) {
fprintf(fp,"ITEM: BOX BOUNDS xy xz yz %s\n",boundstr); fmt::print(fp,"ITEM: BOX BOUNDS xy xz yz {}\n"
fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxxlo,boxxhi,boxxy); "{:>1.16e} {:>1.16e} {:>1.16e}\n"
fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxylo,boxyhi,boxxz); "{:>1.16e} {:>1.16e} {:>1.16e}\n"
fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxzlo,boxzhi,boxyz); "{:>1.16e} {:>1.16e} {:>1.16e}\n",
boundstr,boxxlo,boxxhi,boxxy,boxylo,boxyhi,boxxz,boxzlo,boxzhi,boxyz);
} else { } else {
fprintf(fp,"ITEM: BOX BOUNDS %s\n",boundstr); fmt::print(fp,"ITEM: BOX BOUNDS {}\n"
fprintf(fp,"%-1.16e %-1.16e\n",boxxlo,boxxhi); "{:>1.16e} {:>1.16e}\n"
fprintf(fp,"%-1.16e %-1.16e\n",boxylo,boxyhi); "{:>1.16e} {:>1.16e}\n"
fprintf(fp,"%-1.16e %-1.16e\n",boxzlo,boxzhi); "{:>1.16e} {:>1.16e}\n",
boundstr,boxxlo,boxxhi,boxylo,boxyhi,boxzlo,boxzhi);
} }
fprintf(fp,"ITEM: %s %s\n",label,columns);
fmt::print(fp,"ITEM: {} {}\n", label, columns);
} }
} }

2
src/fix_ave_chunk.cpp
View File

@ -941,7 +941,7 @@ void FixAveChunk::end_of_step()
if (overwrite) platform::fseek(fp,filepos); if (overwrite) platform::fseek(fp,filepos);
double count = 0.0; double count = 0.0;
for (m = 0; m < nchunk; m++) count += count_total[m]; for (m = 0; m < nchunk; m++) count += count_total[m];
fprintf(fp,BIGINT_FORMAT " %d %g\n",ntimestep,nchunk,count); fmt::print(fp,"{} {} {}\n",ntimestep,nchunk,count);
int compress = cchunk->compress; int compress = cchunk->compress;
int *chunkID = cchunk->chunkID; int *chunkID = cchunk->chunkID;

2
src/fix_ave_correlate.cpp
View File

@ -487,7 +487,7 @@ void FixAveCorrelate::end_of_step()
if (fp && me == 0) { if (fp && me == 0) {
clearerr(fp); clearerr(fp);
if (overwrite) platform::fseek(fp,filepos); if (overwrite) platform::fseek(fp,filepos);
fprintf(fp,BIGINT_FORMAT " %d\n",ntimestep,nrepeat); fmt::print(fp,"{} {}\n",ntimestep,nrepeat);
for (i = 0; i < nrepeat; i++) { for (i = 0; i < nrepeat; i++) {
fprintf(fp,"%d %d %d",i+1,i*nevery,count[i]); fprintf(fp,"%d %d %d",i+1,i*nevery,count[i]);
if (count[i]) if (count[i])

2
src/fix_ave_histo.cpp
View File

@ -815,7 +815,7 @@ void FixAveHisto::end_of_step()
if (fp && me == 0) { if (fp && me == 0) {
clearerr(fp); clearerr(fp);
if (overwrite) platform::fseek(fp,filepos); if (overwrite) platform::fseek(fp,filepos);
fprintf(fp,BIGINT_FORMAT " %d %g %g %g %g\n",ntimestep,nbins, fmt::print(fp,"{} {} {} {} {} {}\n",ntimestep,nbins,
stats_total[0],stats_total[1],stats_total[2],stats_total[3]); stats_total[0],stats_total[1],stats_total[2],stats_total[3]);
if (stats_total[0] != 0.0) if (stats_total[0] != 0.0)
for (i = 0; i < nbins; i++) for (i = 0; i < nbins; i++)

2
src/fix_ave_histo_weight.cpp
View File

@ -468,7 +468,7 @@ void FixAveHistoWeight::end_of_step()
if (fp && me == 0) { if (fp && me == 0) {
clearerr(fp); clearerr(fp);
if (overwrite) platform::fseek(fp,filepos); if (overwrite) platform::fseek(fp,filepos);
fprintf(fp,BIGINT_FORMAT " %d %g %g %g %g\n",ntimestep,nbins, fmt::print(fp,"{} {} {} {} {} {}\n",ntimestep,nbins,
stats_total[0],stats_total[1],stats_total[2],stats_total[3]); stats_total[0],stats_total[1],stats_total[2],stats_total[3]);
if (stats_total[0] != 0.0) if (stats_total[0] != 0.0)
for (i = 0; i < nbins; i++) for (i = 0; i < nbins; i++)

7
src/fix_ave_time.cpp
View File

@ -669,11 +669,10 @@ void FixAveTime::invoke_scalar(bigint ntimestep)
if (fp && me == 0) { if (fp && me == 0) {
clearerr(fp); clearerr(fp);
if (overwrite) platform::fseek(fp,filepos); if (overwrite) platform::fseek(fp,filepos);
fprintf(fp,BIGINT_FORMAT,ntimestep); fmt::print(fp,"{}",ntimestep);
for (i = 0; i < nvalues; i++) fprintf(fp,format,vector_total[i]/norm); for (i = 0; i < nvalues; i++) fprintf(fp,format,vector_total[i]/norm);
fprintf(fp,"\n"); fprintf(fp,"\n");
if (ferror(fp)) if (ferror(fp)) error->one(FLERR,"Error writing out time averaged data");
error->one(FLERR,"Error writing out time averaged data");
fflush(fp); fflush(fp);
@ -881,7 +880,7 @@ void FixAveTime::invoke_vector(bigint ntimestep)
if (fp && me == 0) { if (fp && me == 0) {
if (overwrite) platform::fseek(fp,filepos); if (overwrite) platform::fseek(fp,filepos);
fprintf(fp,BIGINT_FORMAT " %d\n",ntimestep,nrows); fmt::print(fp,"{} {}\n",ntimestep,nrows);
for (i = 0; i < nrows; i++) { for (i = 0; i < nrows; i++) {
fprintf(fp,"%d",i+1); fprintf(fp,"%d",i+1);
for (j = 0; j < nvalues; j++) fprintf(fp,format,array_total[i][j]/norm); for (j = 0; j < nvalues; j++) fprintf(fp,format,array_total[i][j]/norm);

19
src/fix_property_atom.cpp
View File

@ -445,34 +445,35 @@ void FixPropertyAtom::write_data_section(int /*mth*/, FILE *fp,
int n, double **buf, int /*index*/) int n, double **buf, int /*index*/)
{ {
int k,icol,ncol,nv; int k,icol,ncol,nv;
std::string line;
for (int i = 0; i < n; i++) { for (int i = 0; i < n; i++) {
fprintf(fp,TAGINT_FORMAT,(tagint) ubuf(buf[i][0]).i); line = fmt::format("{}",(tagint) ubuf(buf[i][0]).i);
icol = 1; icol = 1;
for (nv = 0; nv < nvalue; nv++) { for (nv = 0; nv < nvalue; nv++) {
if (styles[nv] == MOLECULE) if (styles[nv] == MOLECULE)
fprintf(fp," " TAGINT_FORMAT,(tagint) ubuf(buf[i][icol++]).i); line += fmt::format(" {}",(tagint) ubuf(buf[i][icol++]).i);
else if (styles[nv] == CHARGE) else if (styles[nv] == CHARGE)
fprintf(fp," %g",buf[i][icol++]); line += fmt::format(" {}",buf[i][icol++]);
else if (styles[nv] == RMASS) else if (styles[nv] == RMASS)
fprintf(fp," %g",buf[i][icol++]); line += fmt::format(" {}",buf[i][icol++]);
else if (styles[nv] == IVEC) else if (styles[nv] == IVEC)
fprintf(fp," %d",(int) ubuf(buf[i][icol++]).i); line += fmt::format(" {}",(int) ubuf(buf[i][icol++]).i);
else if (styles[nv] == DVEC) else if (styles[nv] == DVEC)
fprintf(fp," %g",buf[i][icol++]); line += fmt::format(" {}",buf[i][icol++]);
else if (styles[nv] == IARRAY) { else if (styles[nv] == IARRAY) {
ncol = cols[nv]; ncol = cols[nv];
for (k = 0; k < ncol; k++) for (k = 0; k < ncol; k++)
fprintf(fp," %d",(int) ubuf(buf[i][icol+k]).i); line += fmt::format(" {}",(int) ubuf(buf[i][icol+k]).i);
icol += ncol; icol += ncol;
} else if (styles[nv] == DARRAY) { } else if (styles[nv] == DARRAY) {
ncol = cols[nv]; ncol = cols[nv];
for (k = 0; k < ncol; k++) for (k = 0; k < ncol; k++)
fprintf(fp," %g",buf[i][icol+k]); line += fmt::format(" {}",buf[i][icol+k]);
icol += ncol; icol += ncol;
} }
} }
fprintf(fp,"\n"); fmt::print(fp,line+"\n");
} }
} }