Hi Everyone,
I wanted to compute atom properties and then dump them in a .vtk file. However, I cannot see them printed. Here are my commands:
compute ins all property/atom id type xs ys zs fx fy fz # Calculation of atom attributes
dump dmp all custom/vtk ${writeOutEvery} post_hl1_100kpa/dump*.superq.vtk c_ins
The error is " ERROR: Dump particle fix does not compute per-atom info (../dump_particle.cpp:594)"
If someone can help with this, I will be very grateful.
Sincerely,
Sounik
achuth1992 | Sun, 11/18/2018 - 15:07
Hey,
Hey,
You can directly dump the information you want using the following command and you do not require the compute command.
dump dmp all custom ${dumptime} post1/dump*.liggghts id type mol x y z vx vy vz fx fy fz omegax omegay omegaz radius
Also, you are accessing the compute variable in the wrong manner. You need to access it on an element-wise basis. e.g. c_ins[1] c_ins[2] and so on.
Bests,
Achuth