]> hackdaworld.org Git - physik/posic.git/history - potentials/tersoff.c
virial calc define + default amount threads -> 2
[physik/posic.git] / potentials / tersoff.c
2008-05-28 hackbardfixed tersoff virial calc
2008-05-28 hackbardadded 2b bond check for tersoff
2008-04-16 hackbardadapted all potential to new scheme + necessary mods...
2008-04-15 hackbardfixed bond analyze, introduced more comfortable set...
2007-07-19 hackbardsmall mods to support site energies and kinetic energie...
2007-05-30 hackbardalbe force calc bug fixed, sic mods, mean virial
2007-05-18 hackbardfirst sic tests
2007-05-03 hackbardput repulsive part to 3bp/j2 function
2007-05-03 hackbardfixed sign
2007-04-27 hackbardadd another way of calculating tersoff + small moldyn...
2007-03-14 hackbardimproved log/report subsystem, playing around w/ pressu...
2007-03-07 hackbardtersoff MAYBE fixed now!
2007-03-05 hackbardnew structure (skipped 2 inlines) same code!
2007-03-05 hackbardnew src file layout (warning: doesnt compile by now!)