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srtee / lammps-USER-CONP2

updated constant potential plugin for LAMMPS
GNU General Public License v3.0
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Error in fix conp command while running the test code #37

Closed AyshaSiddikaAsha closed 2 years ago

AyshaSiddikaAsha commented 2 years ago

Hello,

I have built 27May2021 patch of LAMMPS . While running the input script from dilute (from tests folder), I faced the error:

ERROR: Fix conp group ID does not exist (src/USER-CONP2/fix_conp.cpp:107) Last command: fix e all conp 1 1.979 ${molleft} ${molright} -0.5 0.5 inv iter etypes 1 3

But the molleft and molright variable is already defined in the input script. I am not understanding where the problem is then. Could anyone please help me about this?

Thank you.

N.B: I have set n value as 1 and processor value as 1 in the input script.

srtee commented 2 years ago

Dear AyshaSiddikaAsha,

My apologies -- I changed the input syntax in the latest updates (it's a lot simpler, and uses groups instead of molecules) but hadn't changed the inputs in most of the test folders. I have updated those inputs now. Let me know if they're working now for you!

AyshaSiddikaAsha commented 2 years ago

Dear Shern Tee,

Thank you so much for your help. They are working perfectly now!