20 lines
905 B
Plaintext
20 lines
905 B
Plaintext
This directory contains two short example scripts for the USER-UEF
|
|
package.
|
|
|
|
|
|
nvt_uniaxial:
|
|
A simulation of a WCA fluid under constant volume uniaxial strain
|
|
with stretching in the z direction, compression in the x and y
|
|
directions.The xx, yy and zz components of the pressure tensor are
|
|
written to the log file. The simulation conditions are the same
|
|
used in the paper by Thomas Hunt [http://arxiv.org/abs/1310.3905]
|
|
and should yield an zz pressure near 5 and xx/yy pressures near 10.
|
|
|
|
npt_biaxial:
|
|
A simulation of a WCA fluid under stress-controlled biaxial strain
|
|
with stretching in the x and y directions, compression in the z
|
|
direction. The zz stress is controlled using the ext keyword in fix
|
|
npt/uef. The xx yy and zz components of the pressure tensor are
|
|
written to the log file. The simulations conditions should yield
|
|
xx/yy pressures near 5 and zz pressure near 10
|