Eon svn

Eon svn is used for minimization and saddle search. SVN revision 2549, last changed 2026-01-23 by eboniw. Archived rows also spell it Eon, Eon r2006, and EON (SVN r2549).

Versions

Registry pins for this code.
RoleRefCommitSource
minimization and saddle search r2549 r2549 https://theory.cm.utexas.edu/svn/eon

Version history

Eon on Pt heptamer island. Each point is one recorded version of one method. Versions run left to right in numeric order. PAR-2 is omitted where that row has none. No line is drawn across a missing value.
Eon on Pt heptamer island. Each point is one recorded version of one method. Versions run left to right in numeric order. PAR-2 is omitted where that row has none. No line is drawn across a missing value. PDF.

Best cost

Best cost for Al adatom on Al(100) at 250 KAl adatom on Al(100) at 250 K10⁸10⁹cost (force calls, log scale)Eon svn: 2.54294e+08Eon svn2.54294e+08
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for Al adatom on Al(100) at 150 KAl adatom on Al(100) at 150 K10⁵10⁶cost (force calls, log scale)Eon svn: 835900Eon svn835900
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for LJ38 double-ended saddleLJ38 double-ended saddle10²10³10⁴cost (force calls, log scale)OPTIM: 131OPTIM131Eon svn: 235.2Eon svn235.2eOn: 259.46eOn259.46pele: 293pele293geodesic: 1208.42geodesic1208.42COMPASS: 1517.3COMPASS1517.3Sella: 2055.3Sella2055.3rgsaddle: 2145.72rgsaddle2145.72TSASE: 3119.56TSASE3119.56LAMMPS: 4526.2LAMMPS4526.2ASE: 4912.84ASE4912.84
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for Lennard-Jones 38 transition-state separationLennard-Jones 38 transition-state separation10²10³10⁴10⁵10⁶cost (force calls, log scale)Eon svn: 502.784Eon svn502.784eOn: 520.333eOn520.333OPTIM: 2885OPTIM2885Sella: 31447.3Sella31447.3pele: 52961.9pele52961.9COMPASS: 100831COMPASS100831rgsaddle: 266216rgsaddle266216geodesic: 412102geodesic412102ASE: 444244ASE444244TSASE: 451753TSASE451753LAMMPS: 451959LAMMPS451959
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 island10²10³10⁴cost (force calls, log scale)OPTIM: 103OPTIM103Eon svn: 110Eon svn110pele: 449.746pele449.746geodesic: 824.119geodesic824.119ASE: 926.475ASE926.475rgsaddle: 938.102rgsaddle938.102Sella: 968.525Sella968.525COMPASS: 1078.12COMPASS1078.12TSASE: 2524.53TSASE2524.53LAMMPS: 2668.64LAMMPS2668.64eOn: 3080.19eOn3080.19
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for Binary Lennard-Jones 100Binary Lennard-Jones 100GMIN: -589.507GMIN-589.507Eon svn: -584.579Eon svn-584.579
A cost at or below zero is left off the log scale, so this problem has no bar.
Best cost for Lennard-Jones 38 global minimumLennard-Jones 38 global minimum10³10⁴10⁵10⁶cost (force calls, log scale)GMIN: 5883.83GMIN5883.83eOn: 503146eOn503146Eon svn: 508011Eon svn508011pele: 521595pele521595
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
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.
Best cost for Lennard-Jones 38Lennard-Jones 3810¹10²10³10⁴10⁵cost (force calls, log scale)Sella: 17.8Sella17.8OPTIM: 25OPTIM25pele: 25pele25TSASE: 25TSASE25rgsaddle: 26.12rgsaddle26.12eOn: 26.385eOn26.385Eon svn: 26.385Eon svn26.385pARTn: 2619.84pARTn2619.84pysisyphus: 4017.14pysisyphus4017.14SoftSaddle: 18700.6SoftSaddle18700.6
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for Lennard-Jones 38 clustersLennard-Jones 38 clusters10¹10²10³10⁴10⁵cost (force calls, log scale)unknown: 79unknown79rgmin: 81.881rgmin81.881TSASE: 166TSASE166OPTIM: 176OPTIM176pele: 179pele179eOn: 180.137eOn180.137Eon svn: 181Eon svn181DL-FIND: 231.908DL-FIND231.908GMIN: 301.399GMIN301.399ASE: 374.645ASE374.645vc-SQNM: 598.05vc-SQNM598.05Sella: 710.089Sella710.089LAMMPS: 1123.81LAMMPS1123.81pysisyphus: 15124.7pysisyphus15124.7
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for Lennard-Jones 38 clusters with Gaussian force noiseLennard-Jones 38 clusters with Gaussian force noise10¹10²10³10⁴cost (force calls, log scale)rgmin: 81.881rgmin81.881DL-FIND: 231.908DL-FIND231.908pele: 268.036pele268.036Eon svn: 300.052Eon svn300.052GMIN: 301.399GMIN301.399ASE: 396.55ASE396.55vc-SQNM: 598.05vc-SQNM598.05Sella: 729.433Sella729.433LAMMPS: 1123.81LAMMPS1123.81
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for Morse bulkMorse bulk10⁰10¹10²10³10⁴10⁵cost (force calls, log scale)rgmin: 8.35rgmin8.35TSASE: 19TSASE19Sella: 28.89Sella28.89ASE: 28.91ASE28.91GMIN: 34.4GMIN34.4vc-SQNM: 40.51vc-SQNM40.51OPTIM: 46OPTIM46pele: 51pele51Eon svn: 52Eon svn52eOn: 54.18eOn54.18DL-FIND: 13626.5DL-FIND13626.5LAMMPS: 17656.7LAMMPS17656.7
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 island10²10³10⁴cost (force calls, log scale)geodesic: 318.923geodesic318.923eOn: 319.538eOn319.538Eon svn: 336.769Eon svn336.769COMPASS: 561.462COMPASS561.462ASE: 606.923ASE606.923rgsaddle: 732.462rgsaddle732.462LAMMPS: 1398.46LAMMPS1398.46TSASE: 1521.15TSASE1521.15
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 island10³10⁴10⁵10⁶10⁷10⁸10⁹cost (force calls, log scale)Sella: 5201.62Sella5201.62SoftSaddle: 10124.2SoftSaddle10124.2rgsaddle: 10128rgsaddle10128eOn: 2e+08eOn2e+08
A shorter bar is a lower cost on a log scale shared by the codes of this problem.
Best cost for Lennard-Jones 38Lennard-Jones 3810¹10²10³10⁴10⁵cost (force calls, log scale)Sella: 68.74Sella68.74OPTIM: 145OPTIM145pele: 192pele192Eon svn: 237Eon svn237eOn: 280.33eOn280.33OptKing: 7030.36OptKing7030.36rgsaddle: 7803.19rgsaddle7803.19pARTn: 20000pARTn20000TSASE: 20000TSASE20000
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 island10¹10²10³10⁴cost (force calls, log scale)Sella: 53Sella53OPTIM: 71OPTIM71pele: 88pele88Eon svn: 106Eon svn106eOn: 108.796eOn108.796rgsaddle: 223.898rgsaddle223.898OptKing: 1059.98OptKing1059.98TSASE: 1144.31TSASE1144.31pARTn: 1970.22pARTn1970.22
A shorter bar is a lower cost on a log scale shared by the codes of this problem.

Results

Ranked rows for this code, one version and one method on each row. PAR-2 counts a finished run as the calls it used and a failed run as twice the cap. An archived row shows the average it published, and its PAR-2 applies that rule to the failures the entry records. Scoring rules.

Every ranked row for this code. Select a column heading to sort.
SuiteProblemRowFamilyFamily rankUnitPAR-2PublishedMedian callsMean callsHessiansFD callsFailuresRuns
Accelerated molecular dynamics Al adatom on Al(100) at 250 K eOn · parallel replica Minimizers 1 escape rate (1/s) 2.54294e+08 0 0 not recorded 1
Accelerated molecular dynamics Al adatom on Al(100) at 150 K eOn · parallel replica Minimizers 1 escape rate (1/s) 835900 0 0 not recorded 1
Double-ended saddle search LJ38 double-ended saddle Eon svn (r2549) · Lanczos improved L-BFGS Minimum mode 1 force calls 235.2 197 235.2 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 50
Double-ended saddle search LJ38 double-ended saddle eOn (r2156) · eon-lanczos-improved Minimum mode 3 force calls 287 287 201 287 0 0 0 failed 50
Double-ended saddle search LJ38 double-ended saddle Eon svn (r2549) · Lanczos L-BFGS Minimum mode 4 force calls 299.82 243.5 299.82 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 50
Double-ended saddle search LJ38 double-ended saddle eOn (r2156) · eon-dimer Minimum mode 5 force calls 337 337 203.5 337 0 0 0 failed 50
Double-ended saddle search LJ38 double-ended saddle Eon svn (r2549) · Dimer L-BFGS Minimum mode 7 force calls 469.64 206.5 419.64 0 0 crash 0, divergence 0, cap 1, wrong_stationary 0 50
Double-ended saddle search LJ38 double-ended saddle Eon svn (r2549) · CI-NEB Band / NEB 2 force calls 1100.84 662 900.84 0 0 crash 0, divergence 0, cap 4, wrong_stationary 0 50
Double-ended saddle search LJ38 double-ended saddle Eon svn (r2549) · LBFGS Connect / double-ended 5 force calls 1180.1 657 930.1 0 0 crash 0, divergence 0, cap 5, wrong_stationary 0 50
Double-ended saddle search LJ38 double-ended saddle eOn (r2156) · eon-ci-swdneb Band / NEB 5 force calls 1274.9 861 793.5 861 0 0 5 failed, class not recorded 50
Double-ended saddle search LJ38 double-ended saddle Eon svn (r2549) · Doubly nudged CI-NEB Band / NEB 6 force calls 1294.86 662 994.86 0 0 crash 0, divergence 0, cap 6, wrong_stationary 0 50
Double-ended saddle search LJ38 double-ended saddle eOn (r2156) · eon-ci-neb Band / NEB 7 force calls 1411.22 827 788.5 827 0 0 7 failed, class not recorded 50
Double-ended saddle search Lennard-Jones 38 transition-state separation Eon svn (r2549) · Lanczos improved L-BFGS Minimum mode 1 force calls 502.784 418 502.784 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 51
Double-ended saddle search Lennard-Jones 38 transition-state separation Eon svn (r2549) · Lanczos L-BFGS Minimum mode 3 force calls 524.667 467 524.667 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 51
Double-ended saddle search Lennard-Jones 38 transition-state separation Eon svn (r2549) · Dimer L-BFGS Minimum mode 7 force calls 681.784 451 681.784 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 51
Double-ended saddle search Lennard-Jones 38 transition-state separation Eon svn (r2549) · Doubly nudged CI-NEB Band / NEB 9 force calls 373102 5007 4283.76 0 0 crash 0, divergence 38, cap 0, wrong_stationary 0 51
Double-ended saddle search Lennard-Jones 38 transition-state separation Eon svn (r2549) · CI-NEB Band / NEB 10 force calls 402321 5007 4385.63 0 0 crash 0, divergence 41, cap 0, wrong_stationary 0 51
Double-ended saddle search Pt heptamer island eOn (r2156) · eon-ci-neb-single Band / NEB 1 force calls 110 110 62 110 0 0 0 failed 59
Double-ended saddle search Pt heptamer island Eon svn (r2549) · Lanczos improved L-BFGS Minimum mode 1 force calls 180.644 161 180.644 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 59
Double-ended saddle search Pt heptamer island eOn (r2156) · eon-dimer Minimum mode 2 force calls 182 182 182 182 0 0 0 failed 59
Double-ended saddle search Pt heptamer island Eon svn (r2549) · Dimer L-BFGS Minimum mode 3 force calls 192.051 188 192.051 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 59
Double-ended saddle search Pt heptamer island Eon svn (r2549) · Lanczos L-BFGS Minimum mode 4 force calls 221.525 208 221.525 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 59
Double-ended saddle search Pt heptamer island Eon svn (r2549) · CI-NEB Band / NEB 2 force calls 225.881 188 225.881 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 59
Double-ended saddle search Pt heptamer island Eon svn (r2549) · LBFGS Connect / double-ended 2 force calls 225.881 188 225.881 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 59
Double-ended saddle search Pt heptamer island Eon svn (r2549) · Doubly nudged CI-NEB Band / NEB 3 force calls 246.271 218 246.271 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 59
Double-ended saddle search Pt heptamer island eOn (r2156) · eon-ci-neb Band / NEB 4 force calls 248 248 211 248 0 0 0 failed 59
Double-ended saddle search Pt heptamer island eOn (r2156) · eon-ci-swdneb Band / NEB 5 force calls 256 256 219 256 0 0 0 failed 59
Double-ended saddle search Pt heptamer island eOn (r2156) · eon-ci-neb-5 Band / NEB 6 force calls 391 391 395 391 0 0 0 failed 59
Double-ended saddle search Pt heptamer island eOn (r2156) · eon-lanczos Minimum mode 5 force calls 805.932 325 207.5 325 0 0 5 failed, class not recorded 59
Double-ended saddle search Pt heptamer island eOn (r2156) · eon-lanczos-improved Minimum mode 6 force calls 1005.46 222 157 222 0 0 8 failed, class not recorded 59
Global optimization Binary Lennard-Jones 100 eOn (r2156) · eon-basinhopping Basin hopping / global 2 lowest energy (epsilon) -584.579 0 0 not recorded 100
Global optimization Lennard-Jones 38 global minimum eOn (r2156) · eon-basinhopping Basin hopping / global 7 force calls 508011 508011 0 0 not recorded 100
Global optimization Lennard-Jones 38 global minimum Eon svn (r2549) · Basin hopping Basin hopping / global 8 force calls 598530 423226 558530 0 0 crash 0, divergence 0, cap 2, wrong_stationary 0 100
Harmonic transition state theory EAM aluminum eOn (r2006) · Dimer-CG rotation: max=10 tol=1 Minimum mode 1 force calls 21070 21070 0 0 not recorded 432
Harmonic transition state theory EAM aluminum eOn (r2006) · Dimer-CG rotation: max=50 tol=1 Minimum mode 2 force calls 28870 28870 0 0 not recorded 639
Harmonic transition state theory EAM aluminum EON (SVN r2549) (r2549) · Dimer-CG rotation: max=50 tol=1 Minimum mode 3 force calls 35998 45626.9 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 639
Harmonic transition state theory Pt heptamer island Eon r2006 · Dimer-CG rotation: max=10, tol=1 Minimum mode 1 force calls 496000 496000 0 0 not recorded 13
Harmonic transition state theory Pt heptamer island Eon r2006 · Lanczos-CG rotation: max=50, tol=0.05 Minimum mode 2 force calls 653000 653000 0 0 not recorded 11
Harmonic transition state theory Pt heptamer island Eon r2006 · Lanczos-CG rotation: max=10, tol=0.05 Minimum mode 3 force calls 673700 673700 0 0 not recorded 10
Harmonic transition state theory Pt heptamer island Eon r2006 · Dimer-CG rotation: max=50, tol=1 Minimum mode 4 force calls 727100 727100 0 0 not recorded 9
Harmonic transition state theory Pt heptamer island Eon r2006 · Dimer-LBFGS rotation: max=50, tol=1 Minimum mode 5 force calls 778800 778800 0 0 not recorded 13
Harmonic transition state theory Pt heptamer island Eon r2006 · Dimer-LBFGS rotation: max=10, tol=1 Minimum mode 6 force calls 1.122e+06 1.122e+06 0 0 not recorded 9
Harmonic transition state theory Pt heptamer island Eon r2006 · Lanczos-LBFGS rotation: max=10, tol=0.05 Minimum mode 7 force calls 1.284e+06 1.284e+06 0 0 not recorded 8
Harmonic transition state theory Pt heptamer island Eon r2006 · Lanczos-LBFGS rotation: max=50, tol=0.05 Minimum mode 8 force calls 1.497e+06 1.497e+06 0 0 not recorded 6
Lowest eigenvector Lennard-Jones 38 Eon svn (r2549) · Lanczos CG Minimum mode 4 force calls 26.385 25 26.385 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 200
Lowest eigenvector Lennard-Jones 38 eOn (r2156) · eon-dimer-lbfgs Minimum mode 9 force calls 28 28 28 0 0 0 failed 200
Lowest eigenvector Lennard-Jones 38 eOn (r2156) · eon-lanczos Minimum mode 10 force calls 28 28 28 0 0 0 failed 200
Lowest eigenvector Lennard-Jones 38 Eon svn (r2549) · Dimer L-BFGS Minimum mode 11 force calls 28.33 27 28.33 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 200
Lowest eigenvector Lennard-Jones 38 eOn (r2156) · eon-dimer-cg Minimum mode 14 force calls 30 30 30 0 0 0 failed 200
Lowest eigenvector Lennard-Jones 38 Eon svn (r2549) · Dimer CG Minimum mode 15 force calls 30.355 29 30.355 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 200
Minimization Lennard-Jones 38 clusters eOn (r2025) · eon-lbfgs Minimizers 10 force calls 181 181 181 0 0 0 failed 1000
Minimization Lennard-Jones 38 clusters eOn (r2025) · Conjugate Gradients Minimizers 22 force calls 453 453 453 0 0 0 failed 1000
Minimization Lennard-Jones 38 clusters eOn (r2025) · eon-sd-twopoint Minimizers 25 force calls 539 539 539 0 0 0 failed 1000
Minimization Lennard-Jones 38 clusters eOn (r2025) · FIRE Minimizers 38 force calls 731 731 731 0 0 0 failed 1000
Minimization Lennard-Jones 38 clusters eOn (r2025) · QuickMin Minimizers 58 force calls 3901.97 3523 3523 0 0 23 failed, class not recorded 1000
Minimization Lennard-Jones 38 clusters eOn (r2025) · eon-sd Minimizers 61 force calls 6350.5 4901 4901 0 0 96 failed, class not recorded 1000
Minimization Lennard-Jones 38 clusters with Gaussian force noise Eon svn (r2549) · LBFGS Minimizers 7 force calls 300.052 189 200.9 0 0 crash 0, divergence 0, cap 0, wrong_stationary 5 1000
Minimization Morse bulk eOn (r2030) · eon-lbfgs Minimizers 21 force calls 52 52 52 0 0 0 failed 100
Minimization Morse bulk eOn (r2030) · eon-sd-twopoint Minimizers 34 force calls 64 64 64 0 0 0 failed 100
Minimization Morse bulk eOn (r2030) · eon-cg Minimizers 39 force calls 106 106 106 0 0 0 failed 100
Minimization Morse bulk eOn (r2030) · eon-fire Minimizers 47 force calls 156 156 156 0 0 0 failed 100
Minimization Morse bulk eOn (r2030) · eon-sd Minimizers 48 force calls 196 196 196 0 0 0 failed 100
Nudged elastic band Pt heptamer island eOn (r2090) · eon-lbfgs Connect / double-ended 1 force calls per image 42 42 0 0 not recorded 13
Nudged elastic band Pt heptamer island eOn (r2090) · eon-fire Connect / double-ended 4 force calls per image 86 86 0 0 not recorded 13
Nudged elastic band Pt heptamer island eOn (r2090) · eon-cg Connect / double-ended 8 force calls per image 120 120 0 0 not recorded 13
Nudged elastic band Pt heptamer island eOn (r2090) · eon-qm Connect / double-ended 9 force calls per image 164 164 0 0 not recorded 13
Nudged elastic band Pt heptamer island Eon svn (r2549) · LBFGS Connect / double-ended 2 force calls per band 336.769 338 336.769 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 13
Nudged elastic band Pt heptamer island Eon svn (r2549) · FIRE Connect / double-ended 4 force calls per band 678.923 666 678.923 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 13
Nudged elastic band Pt heptamer island Eon svn (r2549) · CG Connect / double-ended 7 force calls per band 929.385 778 929.385 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 13
Nudged elastic band Pt heptamer island Eon svn (r2549) · QuickMin Connect / double-ended 9 force calls per band 1322 1242 1322 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 13
Saddle search Pt heptamer island eOn (r2213) · eon-dimer-lbfgs-5-rotations-20-bowl_breakout Minimum mode 3 force calls per campaign 1.34547e+06 1.34547e+06 0 0 not recorded 9
Saddle search Pt heptamer island eOn (r2205) · eon-md Single-ended saddle 2 force calls per campaign 1.47817e+06 1.47817e+06 0 0 not recorded 9
Saddle search Pt heptamer island eOn (r2213) · eon-dimer-lbfgs-5-rotations Minimum mode 4 force calls per campaign 1.68444e+06 1.68444e+06 0 0 not recorded 9
Saddle search Pt heptamer island eOn (r2213) · eon-dimer-lbfgs-20-rotations-20-bowl_breakout Minimum mode 5 force calls per campaign 2.73231e+06 2.73231e+06 0 0 not recorded 9
Saddle search Pt heptamer island eOn (r2213) · eon-dimer-lbfgs-20-rotations Minimum mode 6 force calls per campaign 3.34149e+06 3.34149e+06 0 0 not recorded 9
Saddle search Pt heptamer island eOn (r2213) · eon-dimer-cg-5-rotations-20-bowl_breakout Minimum mode 7 force calls per campaign 3.4637e+06 3.4637e+06 0 0 not recorded 9
Saddle search Pt heptamer island eOn (r2205) · eon-dimer Minimum mode 8 force calls per campaign 3.77888e+06 3.77888e+06 0 0 not recorded 9
Saddle search Pt heptamer island eOn (r2213) · eon-dimer-cg-20-rotations-20-bowl_breakout Minimum mode 9 force calls per campaign 7.17421e+06 7.17421e+06 0 0 not recorded 9
Saddle search Pt heptamer island eOn (r2213) · eon-dimer-cg-20-rotations Minimum mode 10 force calls per campaign 7.94707e+06 7.94707e+06 0 0 not recorded 9
Transition state optimization Lennard-Jones 38 eOn (r2156) · eon-lanczos-improved Minimum mode 1 force calls 237 237 181 237 0 0 0 failed 200
Transition state optimization Lennard-Jones 38 Eon svn (r2549) · Lanczos improved L-BFGS Minimum mode 2 force calls 270.85 180 270.85 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 200
Transition state optimization Lennard-Jones 38 Eon svn (r2549) · Lanczos L-BFGS Minimum mode 4 force calls 292.78 219 292.78 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 200
Transition state optimization Lennard-Jones 38 eOn (r2156) · eon-lanczos Minimum mode 6 force calls 321 321 220.5 321 0 0 0 failed 200
Transition state optimization Lennard-Jones 38 eOn (r2156) · eon-dimer Minimum mode 7 force calls 528 528 388.5 528 0 0 0 failed 200
Transition state optimization Lennard-Jones 38 Eon svn (r2549) · Dimer L-BFGS Minimum mode 8 force calls 619.89 360.5 536.585 0 0 crash 0, divergence 1, cap 0, wrong_stationary 0 200
Transition state optimization Pt heptamer island eOn (r2156) · eon-lanczos-improved Minimum mode 1 force calls 106 106 100 106 0 0 0 failed 49
Transition state optimization Pt heptamer island Eon svn (r2549) · Lanczos improved L-BFGS Minimum mode 2 force calls 106.388 100 106.388 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 49
Transition state optimization Pt heptamer island Eon svn (r2549) · Dimer L-BFGS Minimum mode 4 force calls 114.959 112 114.959 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 49
Transition state optimization Pt heptamer island eOn (r2156) · eon-dimer Minimum mode 5 force calls 116 116 114 116 0 0 0 failed 49
Transition state optimization Pt heptamer island eOn (r2156) · eon-lanczos Minimum mode 7 force calls 143 143 139 143 0 0 0 failed 49
Transition state optimization Pt heptamer island Eon svn (r2549) · Lanczos L-BFGS Minimum mode 8 force calls 146.163 140 146.163 0 0 crash 0, divergence 0, cap 0, wrong_stationary 0 49