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/ | 888 (20 years ago) by mmeineke: the profiling commands work now. Will start adding PROFILE ifdefs into the code |
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/ | 888 (20 years ago) by mmeineke: the profiling commands work now. Will start adding PROFILE ifdefs into the code |
staticProps/ | 885 (20 years ago) by mmeineke: working on adding GofRtheta and GofRomega |
utils/ | 886 (20 years ago) by mmeineke: working on adding GofRtheta and GofRomega additional work on randomBilayer |
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) |