| some minor changes in salt |
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over 13 years ago
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| fixed more renaming issues |
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over 13 years ago
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| removed explicit pathes from eclipse project, setup PYTHONPATH before starting eclipse |
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over 13 years ago
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| renamed source folder, basic stuff running (examples2, ljgui) |
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over 13 years ago
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| added amber example |
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over 13 years ago
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| lbfgs_py was failing for atlj, this seems to help |
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over 13 years ago
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| Tiny change to MC example |
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over 13 years ago
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| Fix some small scattered bugs |
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over 13 years ago
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| added class for reseeding + example |
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over 13 years ago
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| updateStep warning shadows real error messages, removed |
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over 13 years ago
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| minpermdist & takestep kwargs bugfix |
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over 13 years ago
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| fixes in gui & interactive plotting (pylab) |
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over 13 years ago
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| kwargs in mc and bh takestep |
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over 13 years ago
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| one can pass not quenchParameters in basin hopping, e.g. opt.quenchParameters['tol']=1e-3 |
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over 13 years ago
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| Fix bug in lbfgs_py |
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over 13 years ago
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| Merge branch 'master' of github.com:js850/minGMIN |
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over 13 years ago
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| Add example for custom takestep routine |
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over 13 years ago
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| GMIN interface |
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over 13 years ago
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| fixed block moves |
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over 13 years ago
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| Merge branch 'master' of github.com:js850/minGMIN |
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over 13 years ago
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| split up example2 in individual files |
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over 13 years ago
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| fixed sign of adaptive step taking |
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over 13 years ago
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| fixed sorting bug in savenlowest |
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over 13 years ago
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| added wrapper do draw minima in pymol |
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over 13 years ago
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| Remove a file added accidentally several commits ago |
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over 13 years ago
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| small change to lbfgs wrapper |
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over 13 years ago
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| Add wrapper function for custom lbfgs |
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over 13 years ago
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| Take out line search in custom lbfgs |
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over 13 years ago
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| updates to custom lbfgs and bfgs |
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over 13 years ago
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| Fix another bug in custom lbfgs |
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over 13 years ago
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