Harmonic transition state theory

Harmonic transition state theory compares 2 problems.

  • EAM aluminum
  • Pt heptamer island
Problems2
Codes2

Charts

Best cost for EAM aluminumEAM aluminum10⁴10⁵cost (force calls, log scale)Eon svn: 21070Eon svn21070
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for Pt heptamer islandPt heptamer island10⁵10⁶cost (force calls, log scale)TSASE: 293200TSASE293200Eon svn: 496000Eon svn496000
A shorter bar is a lower cost on a log scale shared by the codes of this problem.

SVG file

Harmonic transition state theory best ranked cost
Harmonic transition state theory best ranked cost. Select the plot for the full SVG.

Leaderboard

An archived row is ranked by its PAR-2 when its entry counts its failures, and otherwise by the average it published.

A shorter bar is a lower cost on the log scale for that problem. Select a column heading to sort.
RankProblemCodeBestMedianSuccessPAR-2
1 EAM aluminum Eon svn 21070 24970 —1 —2
1 Pt heptamer island TSASE 293200 3.239e+06 —1 —2
2 Pt heptamer island Eon svn 496000 752950 —1 —2

1 A dash in the success rate means that row did not record one.

2 A dash in PAR-2 means that row has no PAR-2 score.

Problems

Problems in this suite.
ProblemSystemAtomsRuns
EAM aluminum EAM 101 639
Pt heptamer island Morse 343 13