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Commit f184a839 authored by Davison, Jacob's avatar Davison, Jacob
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changes for testing commutators

parent a09a1df7
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main.py
View file @ f184a839
......@@ -37,6 +37,7 @@ sys.path.append('/mnt/home/daviso53/Research/')
from pyci.density_matrix.density_matrix import density_1b, density_2b
import pyci.imsrg_ci.pyci_p3h as pyci
def get_vacuum_coeffs(E, f, G, basis, holes):
H2B = G
......@@ -200,7 +201,7 @@ def main(n_holes, n_particles, ref=[], d=1.0, g=0.5, pb=0.0, verbose=1, flow_dat
wg = generator_dict[generator] #WegnerGenerator(ha, ot)
fl = Flow_IMSRG2(ha, ot)
wg_spin = WhiteGenerator(ss)
wg_spin = WegnerGenerator(ss, ot)
fl_spin = Flow_IMSRG2(ss, ot)
initf = time.time() # finish instantiation timer
......@@ -252,7 +253,7 @@ def main(n_holes, n_particles, ref=[], d=1.0, g=0.5, pb=0.0, verbose=1, flow_dat
dens_weights,v = np.linalg.eigh(fci_hme)
if verbose:
print("iter, \t s, \t E, \t ||eta1B||, \t ||eta2B||")
print("iter, \t s, \t E, \t SS0B, \t SS1B, \t SS2B, \t ||eta1B||, \t ||eta2B||, \t commute1bd, \t commute1bod, \t commute2bd,\t commute2bod")
while solver.successful() and solver.t < sfinal:
......@@ -293,11 +294,36 @@ def main(n_holes, n_particles, ref=[], d=1.0, g=0.5, pb=0.0, verbose=1, flow_dat
if iters %10 == 0 and verbose:
norm_eta1B = np.linalg.norm(np.ravel(wg.eta1B))
norm_eta2B = np.linalg.norm(np.ravel(wg.eta2B))
print("{:>6d}, \t {:0.4f}, \t {:0.8f}, \t {:0.8f}, \t {:0.8f}".format(iters,
solver.t,
Es,
norm_eta1B,
norm_eta2B))
num_sp = n_holes+n_particles
axes = (num_sp**2,num_sp**2)
# SS2B_r = np.reshape(SS2B, (num_sp**2,num_sp**2))
# H2B_r = np.reshape(H2B, (num_sp**2, num_sp**2))
# commute1b = np.linalg.norm(SS1B.dot(H1B) - H1B.dot(SS1B))
# commute2b = np.linalg.norm(SS2B_r.dot(H2B_r) - H2B_r.dot(SS2B_r))
hfd,hfod,hGd,hGod = wg.decouple_OD()
sfd,sfod,sGd,sGod = wg_spin.decouple_OD()
hGd,hGod,sGd,sGod = np.reshape(hGd,axes),np.reshape(hGod,axes),np.reshape(sGd,axes),np.reshape(sGod,axes)
commute1bd = np.linalg.norm(hfd.dot(sfd) - sfd.dot(hfd))
commute1bod = np.linalg.norm(hfod.dot(sfod) - sfod.dot(hfod))
commute2bd = np.linalg.norm(hGd.dot(sGd) - sGd.dot(hGd))
commute2bod = np.linalg.norm(hGod.dot(sGod) - sGod.dot(hGod))
print("{:>6d}, \t {: .8f}, \t {: .8f}, \t {: .8f}, \t {: .8f}, \t {: .8f}, \t {: .8f}, \t {: .8f}, \t {: .8f}, \t {: .8f}, \t {: .8f}, \t {: .8f}".format(iters,
solver.t,
Es,
SS0B,
contract_1b,
contract_2b,
norm_eta1B,
norm_eta2B,
# 0.0,
# 0.0,
# 0.0,
# 0.0))
commute1bd,
commute1bod,
commute2bd,
commute2bod))
if flow_data_log and iters %10 == 0:
H0B, H1B, H2B = get_vacuum_coeffs(Es, fs, Gs, ha.sp_basis, ha.holes)
......@@ -406,9 +432,15 @@ if __name__ == '__main__':
# plt.legend(['E(s)/E(s=0)', 'SS(s)/SS(s=0)'])
# plt.savefig('flow_conservation.png')
hme = pyci.matrix(4,4,0.0,1.0,0.5,0.0)
w,v = np.linalg.eigh(hme)
v0 = v[:,0]
ref = 1.0*np.array([1,1,1,1,0,0,0,0])+0.0*np.array([1,1,0,0,1,1,0,0])
main(4,4, g=0.5,ref=ref, generator='white')
#ref = 0.9*np.array([1,1,1,1,0,0,0,0])+0.1*np.array([1,1,0,0,1,1,0,0])
basis = pyci.gen_basis(4,4)[:,1::]
ref = basis.T.dot(v0**2)
print()
main(4,4, g=0.5, pb=0.0, generator='wegner')
data = pickle.load(open('expect_flow.p', 'rb'))
fig = plt.figure(figsize=(8,4))
......@@ -417,13 +449,13 @@ if __name__ == '__main__':
plt.legend(['E(s)/E(s=0)', 'SS(s)/SS(s=0)'])
plt.savefig('flow_conservation.png')
# hme = pyci.matrix(4,4,0.0,1.0,2.0,0.0)
# w,v = np.linalg.eigh(hme)
# fig = plt.figure(figsize=(8,4))
# sns.lineplot(x='s', y=data['E_gs'], data=data)
# sns.lineplot(x='s', y=w[0], data=data)
# plt.legend(['E_gs evolution', 'FCI gs'])
# plt.savefig('E_gs_error_g2.png')
hme = pyci.matrix(4,4,0.0,1.0,0.5,0.0)
w,v = np.linalg.eigh(hme)
fig = plt.figure(figsize=(8,4))
sns.lineplot(x='s', y=data['E_gs'], data=data)
sns.lineplot(x='s', y=w[0], data=data)
plt.legend(['E_gs evolution', 'FCI gs'])
plt.savefig('E_gs_error_g2.png')
# refs = [[1,1,1,1,0,0,0,0],[1,1,0,0,1,1,0,0],[1,1,0,0,0,0,1,1],
# [0,0,1,1,1,1,0,0],[0,0,1,1,0,0,1,1]]
......
oop_imsrg/generator.py
View file @ f184a839
......@@ -258,6 +258,10 @@ class WegnerGenerator(Generator):
eta2B = sum1_2b + 0.5*sum2_2b - sum3_2b
self._eta1B = eta1B
self._eta2B = eta2B
return (eta1B, eta2B)
class WegnerGenerator3B(WegnerGenerator):
......
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