| run bh from gui |
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almost 14 years ago
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| played with light settings |
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almost 14 years ago
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| updated required packages in gui README |
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almost 14 years ago
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| added README for gui |
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almost 14 years ago
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| first dirty test of a gui using qt since it has very good gui designer |
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almost 14 years ago
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| pressure for salt |
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almost 14 years ago
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| added pressure for salt - gradients still wrong |
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almost 14 years ago
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| changes in pydev project, compiling c code from eclipse |
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almost 14 years ago
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| long fight (debugging session) with salt potential, added ghost images |
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almost 14 years ago
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| Add steepest descent to quench.py for comparison |
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almost 14 years ago
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| Move quench.py to optimize/ |
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almost 14 years ago
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| Add script to explore the volume of a basin |
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almost 14 years ago
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| Add soft sphere potential |
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almost 14 years ago
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| Fix some bugs in minpermdist for rigid bodies |
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almost 14 years ago
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| minpermdist for rigid bodies appears to be working |
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almost 14 years ago
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| Remove explicit reference to ljcpp |
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almost 14 years ago
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| Merge branch 'master' of github.com:js850/minGMIN |
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almost 14 years ago
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| Fix bug in minpermdist for perutation groups |
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almost 14 years ago
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| multiple climbing images + nicer looking lj neb |
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almost 14 years ago
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| consistant use of distance function in NEB, some comments |
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almost 14 years ago
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| some comments in NEB |
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almost 14 years ago
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| optimizer interface in neb, added fire in quench |
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almost 14 years ago
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| climbing image works |
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almost 14 years ago
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| dneb + new tangent formulation works well |
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almost 14 years ago
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| fixed bug in neb |
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almost 14 years ago
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| fire and NEB, still very slow |
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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 fire optimizer, quick dirty copied from ase, not running smootly |
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almost 14 years ago
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| add an neb test for binary lennard jones |
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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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