| Add parallel NEB to DoubleEndedConnectPar |
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over 13 years ago
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| Make NEB optionally use parallel computing |
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over 13 years ago
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| parallelize transition state searches in connect |
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over 13 years ago
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| lj.py now only has the fortran implementation |
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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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| reorganize connect a bit |
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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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| fixed bug with default parameter in oxdna screwstep |
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over 13 years ago
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| added tool in oxdna to read pathes & do neb |
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over 13 years ago
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| Merge branch 'master' of ssh://github.com/js850/PyGMIN |
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over 13 years ago
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| added few more files to ignore which are generated during GMIN/PYGMIN runs |
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over 13 years ago
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| removed backslash from .gitignore |
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over 13 years ago
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| small changes and bug fixes to connect and lbfgs |
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over 13 years ago
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| more improvements for f2py array coppying |
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over 13 years ago
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| in ts transverse search use previouse H0 as starting point |
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over 13 years ago
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| update f2py mutli-dimensional array handling |
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over 13 years ago
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| mylbfgs now works with initial guess for H0 |
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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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| reorganize and simplify setup.py |
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over 13 years ago
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| draw bonds in oxdna gui |
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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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| added number of torsion moves as parameter to OXDNAScrewStep |
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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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| added __init__ for systems module |
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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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| forgot to add file |
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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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| added oxdna takesteps to systems.oxdna module |
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over 13 years ago
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| hungarian algorithm import only checked once at the beginning. stop on failure |
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over 13 years ago
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| added build + .settings to gitignore |
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over 13 years ago
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