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Remove unused thole polarization rfac parameter
[alexxy/gromacs.git]
/
src
/
gromacs
/
topology
/
idef.cpp
diff --git
a/src/gromacs/topology/idef.cpp
b/src/gromacs/topology/idef.cpp
index b54d73c4f5cb11c8ffa1e124e4ca04f30b2fc902..543a0f41135fc173604f8325950a2025100a5ed0 100644
(file)
--- a/
src/gromacs/topology/idef.cpp
+++ b/
src/gromacs/topology/idef.cpp
@@
-180,11
+180,10
@@
void printInteractionParameters(gmx::TextWriter* writer, t_functype ftype, const
iparams.anharm_polarize.khyp);
break;
case F_THOLE_POL:
iparams.anharm_polarize.khyp);
break;
case F_THOLE_POL:
- writer->writeLineFormatted("a=%15.8e, alpha1=%15.8e, alpha2=%15.8e
, rfac=%15.8e
",
+ writer->writeLineFormatted("a=%15.8e, alpha1=%15.8e, alpha2=%15.8e",
iparams.thole.a,
iparams.thole.alpha1,
iparams.thole.a,
iparams.thole.alpha1,
- iparams.thole.alpha2,
- iparams.thole.rfac);
+ iparams.thole.alpha2);
break;
case F_WATER_POL:
writer->writeLineFormatted(
break;
case F_WATER_POL:
writer->writeLineFormatted(