#include "thermochemistry.h"
-static const char* proj_unit;
-
static real tick_spacing(real range, int minticks)
{
real sp;
const char* twodplotfile,
const char* threedplotfile,
const char* filterfile,
+ const char* projUnit,
int skip,
const char* extremefile,
gmx_bool bExtrAll,
sprintf(str, "vec %d", eignr[outvec[v]] + 1);
ylabel[v] = gmx_strdup(str);
}
- sprintf(str, "projection on eigenvectors (%s)", proj_unit);
+ sprintf(str, "projection on eigenvectors (%s)", projUnit);
write_xvgr_graphs(projfile,
noutvec,
1,
if (twodplotfile)
{
- sprintf(str, "projection on eigenvector %d (%s)", eignr[outvec[0]] + 1, proj_unit);
- sprintf(str2, "projection on eigenvector %d (%s)", eignr[outvec[noutvec - 1]] + 1, proj_unit);
+ sprintf(str, "projection on eigenvector %d (%s)", eignr[outvec[0]] + 1, projUnit);
+ sprintf(str2, "projection on eigenvector %d (%s)", eignr[outvec[noutvec - 1]] + 1, projUnit);
xvgrout = xvgropen(twodplotfile, "2D projection of trajectory", str, str2, oenv);
for (i = 0; i < nframes; i++)
{
}
snew(sqrtm, natoms);
+ std::string projUnit;
if (bM && bDMA1)
{
- proj_unit = "u\\S1/2\\Nnm";
+ projUnit = "u\\S1/2\\Nnm";
for (i = 0; (i < natoms); i++)
{
sqrtm[i] = std::sqrt(atoms->atom[index[i]].m);
}
else
{
- proj_unit = "nm";
+ projUnit = "nm";
for (i = 0; (i < natoms); i++)
{
sqrtm[i] = 1.0;
TwoDPlotFile,
ThreeDPlotFile,
FilterFile,
+ projUnit.c_str(),
skip,
ExtremeFile,
bFirstLastSet,