Diffusion lammps (efficient_neuronet) History

lammps/regtest/bond
efficient_neuronet756c87c7d90795bba6ba20d…

Nov 24 2013

add tool that automatically checks for consistent thermo data
756c87c7d907
·Axel Kohlmeyer on Nov 24 2013, 18:17.
consistency checks between cosine, fourier and fourier/simple
3e547cb24682
·Axel Kohlmeyer on Nov 24 2013, 17:06.
update format selectively to avoid bogus errors on stress
778d32327db2
·Axel Kohlmeyer on Nov 24 2013, 14:05.

Nov 23 2013

more extensive checks added
2e3e5d8761bb
·Axel Kohlmeyer on Nov 23 2013, 23:13.
implement tests for harmonic/shift
4d43e30b42e8
·Axel Kohlmeyer on Nov 23 2013, 19:32.
add simple regression tester for bonds/angles
fe02d652b504
·Axel Kohlmeyer on Nov 23 2013, 17:27.