I am trying to check the properties of rigid clumps that have been scaled using the molecule command.
From the manual documentation, I found that the following properties are saved in .rigid files:
ID1 masstotal xcm ycm zcm ixx iyy izz ixy ixz iyz vxcm vycm vzcm lx ly lz ixcm iycm izcm
However, I cannot find a way to obtain these properties which is generated with restart file.
I am looking for a method to sum the total mass of all clumps, determine their positions, and retrieve the corresponding rigid body IDs, among other properties during the simulation.
Any guidance would be appreciated.
Regards,
How well have you searched the documentation?
I can obtain a *.rigid file when writing a restart file and can check its contents.
173 8.9046733531739582e-05 -9.1459405071966562e-03 -8.2913036063766744e-03 -9.4556678195311626e-03 9.0904609307279137e-12 9.2231051983812810e-12 9.5187485862660840e-12 -1.0145246540810090e-13 6.0137892658973995e-13 3.3784873114153518e-13 5.9439158438446033e-13 3.5451845381655627e-13 -8.8347122254909848e-14 1.6083709977585795e-20 2.0168358030750864e-20 2.5954577967168207e-20 0 0 0
76 6.1797851162983673e-05 -6.6603193392052781e-03 -5.8366049489284649e-03 -9.3967177602539888e-03 7.2224198984951611e-12 5.9902557648687063e-12 7.4458736100014748e-12 -1.3264917021646910e-12 -2.7802775352979237e-14 5.9084181406361912e-13 -1.6382738489820379e-14 -1.2433124745129723e-12 3.2998783187929128e-13 -2.3720082871626406e-21 8.3259734244010557e-21 3.8964714522071420e-21 0 0 0
42 9.0963535104803163e-05 -8.9952656899894984e-03 -6.9787347311579297e-03 -9.4239382021365677e-03 9.5566422635867671e-12 9.8171377453612651e-12 9.6714058191614897e-12 -2.1507026450006287e-14 -1.0741228484972291e-13 1.0152553726699009e-12 1.7834342112059301e-13 6.8766804334886902e-13 -1.1804464828093242e-12 5.3036370197516011e-21 -1.8911211377572608e-20 -5.0066206283445068e-21 0 0 0
However, I cannot find a way to access these properties during the run using equal-style variables or other methods.
I have checked the variable command as well as thermo_style custom, but I could not find a way to retrieve the properties of rigid clumps.
Could you give me a clue on how to solve this problem?
I already did: read the documentation!
In the documentation for fix rigid and fix rigid/small it says:
All of the rigid styles (but not the rigid/small styles) compute a global array of values which can be accessed by various output commands. Similar information about the bodies defined by the rigid/small styles can be accessed via the compute rigid/local command.
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I apologize, I missed that. Thank you 