File
|
Last Change |
|---|---|
 ../
|
|
ac-tools/
|
878 (20 years ago) by gezelter: Changes for gradients (to do minimizations) |
|
forceFields/
|
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 |
|
libBASS/
|
855 (20 years ago) by mmeineke: added the following parameters to BASS: * useInitialExtendedSystemState * orthoBoxTolerance * useIntiTime => useInitialTime |
|
libmdtools/
|
884 (20 years ago) by mmeineke: added some profile functionality |
|
samples/
|
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. |
|
scripts/
|
622 (20 years ago) by mmeineke: added a quick wipe-and-update script for quick rebuilds on BoB |
|
src/
|
851 (20 years ago) by mmeineke: some work on trying to find the compression bug |
|
staticProps/
|
885 (20 years ago) by mmeineke: working on adding GofRtheta and GofRomega |
|
utils/
|
877 (20 years ago) by mmeineke: removed the randombilayer header |
AUTHORS
|
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. |
|
ChangeLog
|
837 (20 years ago) by tim: add chi and eta to the comment line of dump file. |
|
LICENSE
|
384 (21 years ago) by gezelter: Added license file |
|
Makefile.in
|
826 (20 years ago) by gezelter: Stuff for MOD support in other compilers |
|
NEWS
|
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. |
|
README
|
444 (21 years ago) by gezelter: Changed Readme, added some files |
|
configure
|
878 (20 years ago) by gezelter: Changes for gradients (to do minimizations) |