PS("separate-dhdl-file", enumValueToString(fep->separate_dhdl_file));
PS("dhdl-derivatives", enumValueToString(fep->dhdl_derivatives));
PS("sc-function", enumValueToString(fep->softcoreFunction));
- PR("sc-scale-linpoint-LJ-gapsys", fep->scScaleLinpointLJGapsys);
- PR("sc-scale-linpoint-Q-gapsys", fep->scScaleLinpointQGapsys);
+ PR("sc-gapsys-scale-linpoint-LJ", fep->scGapsysScaleLinpointLJ);
+ PR("sc-gapsys-scale-linpoint-Q", fep->scGapsysScaleLinpointQ);
PR("sc-sigma-LJ-gapsys", fep->scSigmaLJGapsys);
};
cmp_double(fp, "inputrec->dh_hist_spacing", -1, fep1->dh_hist_spacing, fep2->dh_hist_spacing, ftol, abstol);
cmpEnum(fp, "inputrec->fepvals->softcoreFunction", fep1->softcoreFunction, fep2->softcoreFunction);
cmp_real(fp,
- "inputrec->fepvals->scScaleLinpointLJGapsys",
+ "inputrec->fepvals->scGapsysScaleLinpointLJ",
-1,
- fep1->scScaleLinpointLJGapsys,
- fep2->scScaleLinpointLJGapsys,
+ fep1->scGapsysScaleLinpointLJ,
+ fep2->scGapsysScaleLinpointLJ,
ftol,
abstol);
cmp_real(fp,
- "inputrec->fepvals->scScaleLinpointQGapsys",
+ "inputrec->fepvals->scGapsysScaleLinpointQ",
-1,
- fep1->scScaleLinpointQGapsys,
- fep2->scScaleLinpointQGapsys,
+ fep1->scGapsysScaleLinpointQ,
+ fep2->scGapsysScaleLinpointQ,
ftol,
abstol);
cmp_real(fp, "inputrec->fepvals->scSigmaLJGapsys", -1, fep1->scSigmaLJGapsys, fep2->scSigmaLJGapsys, ftol, abstol);