WebLAMMPS (15 May 2024) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:88) using 1 OpenMP thread(s) per MPI task Lattice spacing in x,y,z = 4.785 2.76262 5.189 Created triclinic box = (0 0 0) to (3.19 2.76262 5.189) with tilt (-1.595 0 0) WARNING: Triclinic box skew is large (src/domain.cpp:194) 1 by 1 by 1 MPI processor … WebDec 10, 2024 · WARNING: Inconsistent image flags (../domain.cpp:785) WARNING: Bond/angle/dihedral extent > half of periodic box length (../domain.cpp:906) B/c they …

LAMMPS WARNING: Bond/angle/dihedral extent - ECHEMI

WebInconsistent image flags. The image flags for a pair on bonded atoms appear to be inconsistent. Inconsistent means that when the coordinates of the two atoms are … WebAn inconsistency was detected when computing the number of 1-3 neighbors for each atom. This likely means something is wrong with the bond topologies you have defined. 1-4 bond count is inconsistent An inconsistency was detected when computing the number of 1-4 neighbors for each atom. grand canyon nearby attractions

Why I am not getting correct radius of gyration from polymer chain …

WebDec 10, 2024 · 1. I solved the issue by removing containers and volumes : -Stop the container (s) using the following command: docker-compose down. -Delete all containers using the following command: docker rm -f $ (docker ps -a -q) -Delete all volumes using the following command: docker volume rm $ (docker volume ls -q) WebSummary The LAMMPS master branch 19e6a9e and older patch release patch_10Feb2024 end in inconsistent results for the same simulation. ... Unit style : real Current step : 0 Time step : 1 WARNING: Inconsistent image flags (src/domain.cpp:814) WARNING: Bond/angle/dihedral extent > half of periodic box length (src/domain.cpp:935) Per MPI … Webadjust image flags due to triclinic box flip: flip operation is changing box vectors A,B,C to new A',B',C' A' = A (A does not change) B' = B + mA (B shifted by A) C' = C + pB + nA (C … grand canyon new year