File
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Last Change |
|---|---|
 ../
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utils/
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877 (20 years ago) by mmeineke: removed the randombilayer header |
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staticProps/
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879 (20 years ago) by mmeineke: finished gofRtheta and added gofRomega. both need to be debugged and tested. |
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src/
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851 (20 years ago) by mmeineke: some work on trying to find the compression bug |
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scripts/
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622 (21 years ago) by mmeineke: added a quick wipe-and-update script for quick rebuilds on BoB |
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samples/
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882 (20 years ago) by chuckv: Fixed bug in parallel EAM. rho_row and rho_col were scattered into the same array. Unfortunately, MPI zeros the array between scatters so half of the sum was being lost. Fixed by added a temp array for column scatter, then sum loop over nlocal. |
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libmdtools/
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882 (20 years ago) by chuckv: Fixed bug in parallel EAM. rho_row and rho_col were scattered into the same array. Unfortunately, MPI zeros the array between scatters so half of the sum was being lost. Fixed by added a temp array for column scatter, then sum loop over nlocal. |
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libBASS/
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855 (20 years ago) by mmeineke: added the following parameters to BASS: * useInitialExtendedSystemState * orthoBoxTolerance * useIntiTime => useInitialTime |
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forceFields/
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875 (20 years ago) by mmeineke: backed up the old DUFF.frc to backup.DUFF.frc alte4red masses and epsilons of TB2 and TB3 in DUFF.frc |
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ac-tools/
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878 (20 years ago) by gezelter: Changes for gradients (to do minimizations) |
configure
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878 (20 years ago) by gezelter: Changes for gradients (to do minimizations) |
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README
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444 (21 years ago) by gezelter: Changed Readme, added some files |
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NEWS
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378 (21 years ago) by mmeineke: This commit was generated by cvs2svn to compensate for changes in r377, which included commits to RCS files with non-trunk default branches. |
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Makefile.in
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826 (20 years ago) by gezelter: Stuff for MOD support in other compilers |
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LICENSE
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384 (21 years ago) by gezelter: Added license file |
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ChangeLog
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837 (20 years ago) by tim: add chi and eta to the comment line of dump file. |
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AUTHORS
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378 (21 years ago) by mmeineke: This commit was generated by cvs2svn to compensate for changes in r377, which included commits to RCS files with non-trunk default branches. |