def get_stress(log):
"""
get stress from lammps log
"""
with open(log, 'r') as fp:
lines = fp.read().split('\n')
for ii in lines:
if ('Final Stress' in ii) and (not 'print' in ii):
vstress = [float(jj) for jj in ii.split('=')[1].split()]
stress = util.voigt_to_stress(vstress)
return stress
def _get_stress(lines) :
items = []
for ii in lines:
if 'in kB' in ii:
sv = [float(jj) for jj in ii.split()[2:8]]
tmp = sv[4]
sv[4] = sv[5]
sv[5] = tmp
items.append(util.voigt_to_stress(sv))
if len(items) == 0:
raise OutcarItemError("cannot find item 'in kB'")
return items
