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Last Change |
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 ../
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forceFields/
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369 (22 years ago) by mmeineke: fixed some bugs. LJ argon works. Error calling new atype for SSD in TraPPE_Ex. |
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src/
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368 (22 years ago) by chuckv: Fixed bugs. Single version now runs w/o segfault. Still a conservation of energy bug. do_Forces.F90: Fixed pot not being passed to do_pair. neighborLists.F90: Fixed bugs in checkNeighborLists atype_module.F90: Fixed bug with allocating atypes on each new_atype call.Now checks to see if atypes is null, then calles initialize(16). vector_class.F90: Fixed some bugs with how MatchList was being allocated. |
AUTHORS
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267 (22 years ago) by mmeineke: Successfully added all the source for libBASS |
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ChangeLog
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280 (22 years ago) by mmeineke: added changelog and NEws info |
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Makefile.am
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321 (22 years ago) by mmeineke: added the force parameter files into the distribution |
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NEWS
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280 (22 years ago) by mmeineke: added changelog and NEws info |
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README
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351 (22 years ago) by mmeineke: blah! |
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configure.ac
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366 (22 years ago) by mmeineke: compiles and links. And promptly segfaults. |
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myReconf
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270 (22 years ago) by mmeineke: added libmdCode and a couple help scripts |
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rootCanal
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273 (22 years ago) by mmeineke: added some checks for libmpich and got single processor to build in libmdCode |