add more extensive whitespace checking for fortran and unittests

This commit is contained in:
Axel Kohlmeyer
2022-10-04 04:11:39 -04:00
parent d7d2802061
commit bc6e42a610
12 changed files with 123 additions and 121 deletions

View File

@ -60,7 +60,7 @@ lmp.command("thermo_style custom step v_emin v_elast pe")
lmp.command("run 0")
x = lmp.extract_atom("x")
lmp.command("variable elast equal $e")
estart = lmp.extract_compute("thermo_pe", LMP_STYLE_GLOBAL, LAMMPS_INT) / natoms
# loop over Monte Carlo moves
@ -92,7 +92,7 @@ for i in range(nloop):
else:
x[iatom][0] = x0
x[iatom][1] = y0
# final energy and stats
lmp.command("variable nbuild equal nbuild")