| added indexing for takestep building blocks |
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over 13 years ago
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| added hgignore - mercurial feels so much better :) |
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over 13 years ago
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| Forgot to add file for new potential ljcut |
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over 13 years ago
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| Some changes and fixes for the database |
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over 13 years ago
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| Redo error handling in lbfgs_py step taking routine |
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over 13 years ago
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| Save mindist distances in database |
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over 13 years ago
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| Improve connect_min.py |
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over 13 years ago
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| Consolidate changes so far |
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over 13 years ago
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| Add a utility for neighbor_lists |
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over 13 years ago
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| small stuff |
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over 13 years ago
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| small change |
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over 13 years ago
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| trying to fix a problem with find transition state |
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over 13 years ago
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| added zero ev |
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over 13 years ago
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| bugfix to detect same transition state in database |
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over 13 years ago
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| bugfix with defaults in tstools |
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over 13 years ago
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| worked on single ended search |
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over 13 years ago
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| fixed some compatibility issues of storage / database |
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over 13 years ago
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| added option to store rejected steps |
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over 13 years ago
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| Merge branch 'master' of https://[email protected]/js850/minGMIN.git |
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over 13 years ago
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| writing transition state eigenvecs and eigenvals in connect_min + graph |
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over 13 years ago
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| transition states store eigenvecs and eigenvals |
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over 13 years ago
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| Fix last commit with the correct license |
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over 13 years ago
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| Add statement about GPL licence |
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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 lj energy from interaction list |
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over 13 years ago
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| Merge branch 'master' of https://[email protected]/js850/minGMIN.git |
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over 13 years ago
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| bugfix in lattice |
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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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| small changes to xy model |
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over 13 years ago
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| Small bug fixes and add comments |
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over 13 years ago
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