down=cubetools.read_cube("qwalk_000.plot_d.dens.cube")
up=cubetools.normalize_abs(up)
down=cubetools.normalize_abs(down)
up['data']*=nup
down['data']*=ndown
up['data']-=down['data'] #make 'up' the spin density
cubetools.write_cube(up,"qwalk_000.spin.dens.cube")
up['data']+=2*down['data'] #make 'up' the charge density
cubetools.write_cube(up,"qwalk_000.chg.dens.cube")
'''
up=cubetools.read_cube("qwalk_000.plot_u.dens.cube")
down=cubetools.read_cube("qwalk_000.plot_d.dens.cube")
up_ct=cubetools.read_cube("qwalk_000.plot_u_ct.dens.cube")
down_ct=cubetools.read_cube("qwalk_000.plot_d_ct.dens.cube")
up=cubetools.normalize_abs(up)
down=cubetools.normalize_abs(down)
up_ct=cubetools.normalize_abs(up_ct)
down_ct=cubetools.normalize_abs(down_ct)
up['data']*=nup
down['data']*=ndown
up_ct['data']*=nup
down_ct['data']*=ndown
#Individual CT determinants
c_u_ct=copy.deepcopy(up_ct)
s_u_ct=copy.deepcopy(up_ct)
c_d_ct=copy.deepcopy(up)
s_d_ct=copy.deepcopy(up)
c_u_ct['data']+=down['data']
s_u_ct['data']-=down['data']
import cubetools
nup = 67
ndown = 66
import copy
#up=cubetools.read_cube("qwalk_000.plot_u.dens.cube")
#down=cubetools.read_cube("qwalk_000.plot_d.dens.cube")
#down=cubetools.read_cube("qwalk_000.plot_d_ex.dens.cube")
up = cubetools.read_cube("qwalk_110.plot_u.dens.cube")
down = cubetools.read_cube("qwalk_110.plot_d.dens.cube")
#down=cubetools.read_cube("qwalk_100.plot_d_ex.dens.cube")
up = cubetools.normalize_abs(up)
down = cubetools.normalize_abs(down)
up['data'] *= nup
down['data'] *= ndown
up['data'] -= down['data'] #make 'up' the spin density
cubetools.write_cube(up, "qwalk_110.spin.dens.cube")
up['data'] += 2 * down['data'] #make 'up' the charge density
cubetools.write_cube(up, "qwalk_110.chg.dens.cube")
import cubetools
f1 = cubetools.read_cube('test_mom.plot.orb7.cube')
f2 = cubetools.read_cube('test_mom.plot.orb10.cube')
f1 = cubetools.normalize_abs(f1)
f2 = cubetools.normalize_abs(f2)
f1['data'] -= f2['data']
cubetools.write_cube(f1, 'test_mom.plot.orbDiff.cube')
f1['data'] += 2 * f2['data']
cubetools.write_cube(f1, 'test_mom.plot.orbSum.cube')