Hi Christoph,
Can you please tell me what this error is?
WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:725)
ERROR: Invalid keyword in thermo_style custom command (../thermo.cpp:819)
I am using this scripts
#output settings, include total thermal energy
compute rke all erotate/sphere
compute displacement all msd
thermo_style custom step atoms ke c_rke vol c_displacement[1]
thermo 10000
thermo_modify lost ignore norm no
compute 1 all wall/gran/local pos id force contactArea
compute peratom all stress/atom
compute p all reduce sum c_peratom[1] c_peratom[2] c_peratom[3]
variable press equal -(c_p[1]+c_p[2]+c_p[3])/(3*vol)
thermo_style custom step atoms etotal press v_press
Many thanks
Matt
mschramm | Fri, 09/29/2017 - 16:49
second thermo_style command
Hello,
what is etotal? was it previously defined? if it is a variable, then it needs v_etotal
Press is also listed twice, one with the variable command (v_) and one without...
mojtaba | Tue, 10/03/2017 - 05:29
Thermo_style and stress/atom
Thanks for your reply.
I have just copied the scripts provided in LIGGGHTS documentation : https://www.cfdem.com/media/DEM/docu/compute_stress_atom.html
as under:
compute peratom all stress/atom
compute p all reduce sum c_peratom[1] c_peratom[2] c_peratom[3]
variable press equal -(c_p[1]+c_p[2]+c_p[3])/(3*vol)
thermo_style custom step temp etotal press v_press
mschramm | Tue, 10/03/2017 - 20:01
check thermo.cpp
checking the cpp file thermo, I did not find any keywords for temp, etotal, or press....
The documentation may be incorrect or I am missing something.