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2442 (18 years ago) by chrisfen: included shifted potential self term |
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2403 (18 years ago) by chrisfen: nothing |
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2443 (18 years ago) by tim: register openbabel readers/writers |
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2364 (18 years ago) by tim: rewrite Globals |
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2404 (18 years ago) by chrisfen: fixed a capitalization problem with NPT integrator initialization |
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2429 (18 years ago) by chuckv: Missed makefile for sutton-chen. |
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2204 (19 years ago) by gezelter: xemacs has been drafted to perform our indentation services |
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2336 (18 years ago) by tim: using epsilon instead of 0.0 to avoid divergence in rotation matrix to quaternion transformation |
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2364 (18 years ago) by tim: rewrite Globals |
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2440 (18 years ago) by tim: adding openbabel |
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2394 (18 years ago) by chrisfen: streamlined reaction field for dipoles (now a good bit faster) and added reaction field for charges - still need to do charge-dipole RF |
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2204 (19 years ago) by gezelter: xemacs has been drafted to perform our indentation services |
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2365 (18 years ago) by chrisfen: added default restraint spring constants into Globals |
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2204 (19 years ago) by gezelter: xemacs has been drafted to perform our indentation services |
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2427 (18 years ago) by chuckv: Sutton-Chen almost done. Just need to fix do_forces to use Sutton-Chen. |
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2263 (18 years ago) by tim: replace c++ style comment in c files |
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2364 (18 years ago) by tim: rewrite Globals |
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1951 (19 years ago) by gezelter: moved Package variable into subdirectory makefiles to speed up the building process |
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2315 (18 years ago) by gezelter: added check for zlib in configure |