gmx_bool bShowNumbers,
gmx_bool bShowParameters)
{
- int j;
-
indent = pr_title_n(fp, indent, title, n);
pr_indent(fp, indent);
fprintf(fp, "name=\"%s\"\n", *(molt->name));
pr_atoms(fp, indent, "atoms", &(molt->atoms), bShowNumbers);
pr_listoflists(fp, indent, "excls", &molt->excls, bShowNumbers);
- for (j = 0; (j < F_NRE); j++)
+ for (int j = 0; (j < F_NRE); j++)
{
pr_ilist(fp,
indent,
real relativeTolerance,
real absoluteTolerance)
{
- int i;
- gmx_bool bDiff;
-
- bDiff = FALSE;
- for (i = 0; i < MAXFORCEPARAM && !bDiff; i++)
+ bool bDiff = false;
+ for (int i = 0; i < MAXFORCEPARAM && !bDiff; i++)
{
bDiff = !equal_real(ip1.generic.buf[i], ip2.generic.buf[i], relativeTolerance, absoluteTolerance);
}
static void cmp_iparm_AB(FILE* fp, const char* s, t_functype ft, const t_iparams& ip1, real relativeTolerance, real absoluteTolerance)
{
- int nrfpA, nrfpB, p0, i;
- gmx_bool bDiff;
-
/* Normally the first parameter is perturbable */
- p0 = 0;
- nrfpA = interaction_function[ft].nrfpA;
- nrfpB = interaction_function[ft].nrfpB;
+ int p0 = 0;
+ int nrfpA = interaction_function[ft].nrfpA;
+ int nrfpB = interaction_function[ft].nrfpB;
if (ft == F_PDIHS)
{
nrfpB = 2;
p0 = 1;
nrfpB = 1;
}
- bDiff = FALSE;
- for (i = 0; i < nrfpB && !bDiff; i++)
+ bool bDiff = false;
+ for (int i = 0; i < nrfpB && !bDiff; i++)
{
bDiff = !equal_real(
ip1.generic.buf[p0 + i], ip1.generic.buf[nrfpA + i], relativeTolerance, absoluteTolerance);
{
for (size_t g = 0; g < cmap1->cmapdata.size(); g++)
{
- int i;
-
fprintf(fp, "comparing cmap %zu\n", g);
- for (i = 0; i < 4 * cmap1->grid_spacing * cmap1->grid_spacing; i++)
+ for (int i = 0; i < 4 * cmap1->grid_spacing * cmap1->grid_spacing; i++)
{
cmp_real(fp, "", i, cmap1->cmapdata[g].cmap[i], cmap2->cmapdata[g].cmap[i], relativeTolerance, absoluteTolerance);
}