| Merge remote-tracking branch 'origin/master' |
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almost 14 years ago
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| Chamge printout to be more like GMIN |
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almost 14 years ago
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| Merge branch 'master' of https://github.com/js850/minGMIN |
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almost 14 years ago
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| added eclipse project |
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almost 14 years ago
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| NEB supports getEnergyGradient |
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almost 14 years ago
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| Make a local copy of lists of events in basinhopping |
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almost 14 years ago
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| update README |
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almost 14 years ago
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| move data, coords and ljscript.py examples directory |
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almost 14 years ago
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| print RMS gradient after each quench |
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almost 14 years ago
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| update documentation for basinhopping |
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almost 14 years ago
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| Pass takeStep function rather than takeStep class |
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almost 14 years ago
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| Make the metropolis criterion the default test |
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almost 14 years ago
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| first implementation nudged elastic band for educational purpose |
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almost 14 years ago
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| cmake build in main directory |
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almost 14 years ago
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| added .gitignore |
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almost 14 years ago
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| Move adaptive step size routine to the event_after_step list |
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almost 14 years ago
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| mykeywords.py can now return an initialized BasinHopping class |
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almost 14 years ago
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| Make the acceptence criterion a user defined function |
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almost 14 years ago
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| Add implimentation for custom events after the MC step |
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almost 14 years ago
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| added stockmeyer potential |
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almost 14 years ago
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| make main consistent with basinhopping |
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almost 14 years ago
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| basin hopping class + ljscript |
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almost 14 years ago
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| fixed constant step routine |
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almost 14 years ago
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| ljscript running again |
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almost 14 years ago
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| cleanup in lj.cpp |
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almost 14 years ago
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| Change input to monteCarlo |
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almost 14 years ago
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| Move takes step algorithm to a separate file. |
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almost 14 years ago
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| move adaptive step size routine to separate file |
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almost 14 years ago
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| Further modify step size adjustment |
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almost 14 years ago
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| Change adaptive step size procedure |
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almost 14 years ago
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