Skip to content

Commit

Permalink
make estimated accuracy output more readable
Browse files Browse the repository at this point in the history
  • Loading branch information
akohlmey committed Jan 30, 2024
1 parent c43b10f commit 6927934
Showing 1 changed file with 4 additions and 4 deletions.
8 changes: 4 additions & 4 deletions src/AMOEBA/pair_amoeba.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -1114,10 +1114,10 @@ void PairAmoeba::print_settings()

if (use_ewald) {
choose(MPOLE_LONG);
mesg += fmt::format(" multipole: cut {} aewald {} bsorder {} FFT {} {} {}; "
"estimated absolute RMS force accuracy = {:.8g}; "
"estimated relative RMS force accuracy = {:.8g}; "
"mscale {} {} {} {}\n",
mesg += fmt::format(" multipole: cut {} aewald {} bsorder {} FFT {} {} {}\n"
" estimated absolute RMS force accuracy = {:.8g}\n"
" estimated relative RMS force accuracy = {:.8g}\n"
" mscale {} {} {} {}\n",
sqrt(off2),aewald,bseorder,nefft1,nefft2,nefft3,
estimated_mpole_accuracy,estimated_mpole_accuracy/two_charge_force,
special_mpole[1],special_mpole[2],special_mpole[3],special_mpole[4]);
Expand Down

0 comments on commit 6927934

Please sign in to comment.