setup issues with fix numdiff

This commit is contained in:
Steve Plimpton
2020-03-02 13:32:05 -07:00
parent 0e58c1b299
commit 0723bf3db7
3 changed files with 49 additions and 13 deletions

View File

@ -21,8 +21,8 @@ variable errx atom fx-f_numdiff[1]
variable erry atom fy-f_numdiff[2]
variable errz atom fz-f_numdiff[3]
write_dump all custom tmp.error f_numdiff[1] f_numdiff[2] f_numdiff[3]
dump forces all custom 200 force_error.dump v_errx v_erry v_errz
thermo 200
run 2000