| Merge branch 'master' of github.com:js850/PyGMIN |
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over 13 years ago
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| Big reorganization of findTransitionState |
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over 13 years ago
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| bugfix in iterator for InterpolatedPath |
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over 13 years ago
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| Merge branch 'master' of ssh://[email protected]/js850/PyGMIN |
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over 13 years ago
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| added path interpolation wrapper and moved interpolation out of NEB |
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over 13 years ago
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| updates to connect and ts search |
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over 13 years ago
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| Clarify role of H0 in lbfgs routines |
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over 13 years ago
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| reorganize lbfgs algorithms |
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over 13 years ago
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| update transition state search |
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over 13 years ago
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| clean up and finish adaptive_step_temperature |
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over 13 years ago
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| Add algorithm for adapting both stepsize and temperature |
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over 13 years ago
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| Merge branch 'master' of https://github.com/js850/PyGMIN |
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over 13 years ago
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| GMINPotentia is counting function calls |
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over 13 years ago
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| Merge branch 'master' of https://[email protected]/js850/PyGMIN.git |
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over 13 years ago
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| better default values for oxdna basin hopping app |
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over 13 years ago
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| add ability to turn off printing for cg, bfgs |
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over 13 years ago
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| added more sophisticated step taking to oxdna_app |
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over 13 years ago
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| Fix bug in quench |
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over 13 years ago
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| Merge branch 'master' of github.com:js850/PyGMIN |
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over 13 years ago
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| updates to connect and NEB |
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over 13 years ago
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| update setup.py |
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over 13 years ago
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| played with step taking in oxdna |
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over 13 years ago
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| integrated nick's changes for benchmarking in app |
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over 13 years ago
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| added dump for oxdna |
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over 13 years ago
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| fixed bug for random aa generator |
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over 13 years ago
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| Simplify and clean up connect_min.py |
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over 13 years ago
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| add comments to connect and ts search algorithm |
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over 13 years ago
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| Add lots of comment to defaults.py |
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over 13 years ago
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| Merge branch 'master' of github.com:js850/PyGMIN |
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over 13 years ago
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| Fix bug in database. |
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over 13 years ago
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