static void pr_str(FILE *fp, int indent, const char *title, const char *s)
{
pr_indent(fp, indent);
- fprintf(fp, "%-20s = %s\n", title, s);
+ fprintf(fp, "%-30s = %s\n", title, s);
}
void pr_qm_opts(FILE *fp, int indent, const char *title, t_grpopts *opts)
{
indent = pr_title(fp, indent, title);
}
+ /* This strings do not all have a direct correspondence to
+ .mdp entries, but we should follow the same convention of
+ using hyphens in the names users read and write. */
PS("integrator", EI(ir->eI));
PSTEP("nsteps", ir->nsteps);
PSTEP("init-step", ir->init_step);
PS("cutoff-scheme", ECUTSCHEME(ir->cutoff_scheme));
- PS("ns_type", ENS(ir->ns_type));
+ PS("ns-type", ENS(ir->ns_type));
PI("nstlist", ir->nstlist);
PI("ndelta", ir->ndelta);
PI("nstcomm", ir->nstcomm);
PI("nstfout", ir->nstfout);
PI("nstcalcenergy", ir->nstcalcenergy);
PI("nstenergy", ir->nstenergy);
- PI("nstxout_compressed", ir->nstxout_compressed);
+ PI("nstxout-compressed", ir->nstxout_compressed);
PR("init-t", ir->init_t);
PR("delta-t", ir->delta_t);
- PR("x_compression_precision", ir->x_compression_precision);
+ PR("x-compression-precision", ir->x_compression_precision);
PR("fourierspacing", ir->fourier_spacing);
PI("nkx", ir->nkx);
PI("nky", ir->nky);
PS("adress", EBOOL(ir->bAdress));
if (ir->bAdress)
{
- PS("adress_type", EADRESSTYPE(ir->adress->type));
- PR("adress_const_wf", ir->adress->const_wf);
- PR("adress_ex_width", ir->adress->ex_width);
- PR("adress_hy_width", ir->adress->hy_width);
- PS("adress_interface_correction", EADRESSICTYPE(ir->adress->icor));
- PS("adress_site", EADRESSSITETYPE(ir->adress->site));
- PR("adress_ex_force_cap", ir->adress->ex_forcecap);
- PS("adress_do_hybridpairs", EBOOL(ir->adress->do_hybridpairs));
-
- pr_rvec(fp, indent, "adress_reference_coords", ir->adress->refs, DIM, TRUE);
+ PS("adress-type", EADRESSTYPE(ir->adress->type));
+ PR("adress-const-wf", ir->adress->const_wf);
+ PR("adress-ex-width", ir->adress->ex_width);
+ PR("adress-hy-width", ir->adress->hy_width);
+ PS("adress-interface-correction", EADRESSICTYPE(ir->adress->icor));
+ PS("adress-site", EADRESSSITETYPE(ir->adress->site));
+ PR("adress-ex-force-cap", ir->adress->ex_forcecap);
+ PS("adress-do-hybridpairs", EBOOL(ir->adress->do_hybridpairs));
+
+ pr_rvec(fp, indent, "adress-reference-coords", ir->adress->refs, DIM, TRUE);
}
PI("userint1", ir->userint1);
PI("userint2", ir->userint2);