Loading doc/src/min_modify.txt +5 −0 Changes for doc/src/min_modify.txt: 5 added lines, 0 removed lines. Original line number Diff line number Diff line Loading @@ -133,6 +133,11 @@ Ultimately, {relaxbox_mod} and {relaxbox_rate} control how fast the relaxation of the box is performed: lower values will slow down the box relaxation but improve the stability of the procedure. NOTE: the option {relaxbox} is currently experimental and often requires to tune the communication cutoff for gost atoms with the command "comm_modify cutoff"_comm_modify.html. The value will depend on the expected box variation and the number of cpu. A value from 2 to 3 times the current cutoff (largest pair cutoff + neighbor skin) is often enough. [Restrictions:] none Loading Loading
doc/src/min_modify.txt +5 −0 Changes for doc/src/min_modify.txt: 5 added lines, 0 removed lines. Original line number Diff line number Diff line Loading @@ -133,6 +133,11 @@ Ultimately, {relaxbox_mod} and {relaxbox_rate} control how fast the relaxation of the box is performed: lower values will slow down the box relaxation but improve the stability of the procedure. NOTE: the option {relaxbox} is currently experimental and often requires to tune the communication cutoff for gost atoms with the command "comm_modify cutoff"_comm_modify.html. The value will depend on the expected box variation and the number of cpu. A value from 2 to 3 times the current cutoff (largest pair cutoff + neighbor skin) is often enough. [Restrictions:] none Loading
