def __str__(self):
lines = []
app = lines.append
app(marquee(self.name))
for it, task in enumerate(self.tasks):
app("%5s %10s %s" % ("t%d" % it, str(task.name), task.status))
return "\n".join(lines)
def __str__(self):
lines = []; app = lines.append
app(marquee(self.__class__.__name__))
for json_file in self.jsonfiles:
app("%s"%json_file)
for f in self.jsonfiles[json_file]['files']:
app("\t%s"%f)
return "\n".join(lines)
def __str__(self):
lines = []
app = lines.append
app(marquee(self.__class__.__name__))
app("lattice:")
lines += [("%12.8lf " * 3) % tuple(vec) for vec in self.lat]
app("atom positions:")
for an, pos in zip(self.atomic_numbers, self.red_atomic_positions):
app("%3d " % an + ("%12.8lf " * 3) % tuple(pos))
return "\n".join(lines)
def __str__(self):
lines = []
app = lines.append
app(marquee(self.__class__.__name__))
app("nqps: %d" % self.nqps)
app("nkpoints: %d" % self.nkpoints)
app("nbands: %d" % self.nbands)
app("min_band: %d" % self.min_band)
app("max_band: %d" % self.max_band)
return "\n".join(lines)
def to_string(self, mark='='):
lines = []
app = lines.append
app(marquee(self.name, mark=mark))
app('initialized: {}'.format(self.initialized))
app('status: {}'.format(self.status))
app('exitcode: {}'.format(self.exitcode))
if self.initialized:
app('path: {}'.format(self.path))
return "\n".join(lines)
def __str__(self):
lines = []; app = lines.append
app(marquee(self.__class__.__name__))
app("kpoints:")
app("nk_ibz : %d"%self.nk_ibz)
app("nk_bz : %d"%self.nk_bz)
app("bands:")
app("nbands : %d" % self.nbands)
app("nbandsv: %d" % self.nbandsv)
app("nbandsc: %d" % self.nbandsc)
app("indexv : %d" % (self.min_band-1))
app("indexc : %d" % (self.indexc-1))
app("field_dirx: %10.6lf %10.6lf %10.6lf"%tuple(self.field_dirx))
app("field_diry: %10.6lf %10.6lf %10.6lf"%tuple(self.field_diry))
app("field_dirz: %10.6lf %10.6lf %10.6lf"%tuple(self.field_dirz))
return "\n".join(lines)
def __str__(self):
lines = []; app = lines.append
app(marquee(self.__class__.__name__))
app("reciprocal lattice:")
app("\n".join([("%12.8lf "*3)%tuple(r) for r in self.rlat]))
app("lattice:")
app("\n".join([("%12.8lf "*3)%tuple(r) for r in self.lat]))
app("alat:")
app(("%12.8lf "*3)%tuple(self.alat))
app("atom positions:")
for an, pos in zip(self.atomic_numbers, self.red_atomic_positions):
app( "%3d " % an + ("%12.8lf " * 3) % tuple(pos) )
app("nkpoints: %d"%self.nkpoints)
app("symmetry operations: %d\n"%len(self.sym_car))
app("temperature : %lf"%self.temperature)
app("electrons : %lf"%self.electrons)
return "\n".join(lines)
def run(self, maxexecs=1, sleep=5, dry=False, verbose=0):
"""Run all the tasks"""
if not self.initialized: self.create()
print(marquee("YambopyFlow.run"))
while not self.alldone:
#exeute maxexecs ready tasks
for it, task in self.readytasks[:maxexecs]:
print("%5s %10s %s" %
("t%d" % it, str(task.name), task.status))
self.initialize_task(it, verbose=False)
task.run(dry=dry)
#wait some seconds
time.sleep(sleep)
#transform into a pickle
self.pickle()
def __str__(self):
lines = []; app = lines.append
app(marquee(self.__class__.__name__))
app('nbandstructures: %d'%self.nbandstructures)
return "\n".join(lines)
def __str__(self):
lines = []; app = lines.append
app(marquee(self.__class__.__name__))
app(str(self.excitondb.get_string(mark='-')))
return "\n".join(lines)