def RunRadDiel(sample_id, rad_res, diel_res, numbands, N_part):
rad_min = 0.0
rad_max = 0.5
dielBack = 10.0
diel_min = 1.0
diel_max = 1.0
print 'creating scripts for radius resolution {:d} and dielectric resolution {:d}'.format(rad_res, diel_res)
[N, n_s, n_c, r_c, coords] = mht.read(sample_id)
list_rad = mht.MakeRad(n_s, rad_res, rad_min, rad_max)
list_dielCyl = mht.MakeDiel(n_s, diel_res, diel_min, diel_max, dielBack)
fout_qsub = './dat/{0}/{0}_qsub.sh'.format(sample_id)
mht.ensure_dir(fout_qsub)
with open(fout_qsub,'w') as f:
f.write('#!/bin/sh\n')
for rad in list_rad:
for dielCyl in list_dielCyl:
cmd = scripts.Create(sample_id, n_s, rad, dielBack, dielCyl, N, n_c, coords, N_part, numbands)
f.write(cmd)
def GetConfig():
fout = './dat/' + sample_id + '/log/' + sample_id + '.log'
mht.ensure_dir(fout)
cmd = code_pack + ' < ' + filenames.params + ' | tee ' + fout
os.system(cmd)
shutil.move(out_pack, filenames.centers)
shutil.move(out_pack2, filenames.centers2)
def SaveParams():
mht.ensure_dir(filenames.params)
args = ([num_species, num_stagegrowth, num_stagerelax] +
num_cells + radii +
[growthrate, transmod, start_quench, start_config, num_MC, len_cell])
with open(filenames.params, 'w') as fout:
for var in args:
fout.write(str(var)+'\n')
fout.close()
