Comments (3)
Instead of looping
for order in range(1, max_order+1):
we have to loop over both dimensions (m,n)
for omega_term in master_omega.operator_list:
specifier_string = f"m{omega_term.m}_n{omega_term.n}"
from termfactory.
The final structure is different than the original design.
compute_all_optimized_paths
returns a dictionary of all optimized paths for proj^m_n
compute_m#_n#_optimized_paths
returns a dictionary with 1 key, value pair where the value is a list of length 3
for example:
connected_opt_path_list = compute_m3_n0_fully_connected_optimized_paths(A, N, ansatz, truncation)
linked_opt_path_list = compute_m3_n0_linked_disconnected_optimized_paths(A, N, ansatz, truncation)
unlinked_opt_path_list = compute_m3_n0_unlinked_disconnected_optimized_paths(A, N, ansatz, truncation)
return_dict = {
(3, 0): [connected_opt_path_list, linked_opt_path_list, unlinked_opt_path_list]
}
each compute_m#_n#_{term_type_name}_optimized_paths
function returns the appropriate list filled with contracted expressions
for example:
def compute_m0_n0_fully_connected_optimized_paths(A, N, ansatz, truncation):
"""Calculate optimized einsum paths for the fully_connected terms."""
fully_connected_opt_path_list = []
if ansatz.ground_state:
if truncation.at_least_linear:
if truncation.singles:
fully_connected_opt_path_list.append(oe.contract_expression((A, A, N), (A, A, N)))
if truncation.at_least_quadratic:
if truncation.singles:
fully_connected_opt_path_list.extend([
oe.contract_expression((A, A, N, N), (A, A, N), (A, A, N)),
oe.contract_expression((A, A, N, N), (A, A, N), (A, A, N))
])
if truncation.doubles:
fully_connected_opt_path_list.append(oe.contract_expression((A, A, N, N), (A, A, N, N)))
if truncation.at_least_cubic:
if truncation.singles:
fully_connected_opt_path_list.extend([
oe.contract_expression((A, A, N, N, N), (A, A, N), (A, A, N), (A, A, N)),
oe.contract_expression((A, A, N, N, N), (A, A, N), (A, A, N), (A, A, N)),
oe.contract_expression((A, A, N, N, N), (A, A, N), (A, A, N), (A, A, N)),
oe.contract_expression((A, A, N, N, N), (A, A, N), (A, A, N), (A, A, N)),
oe.contract_expression((A, A, N, N, N), (A, A, N), (A, A, N), (A, A, N)),
oe.contract_expression((A, A, N, N, N), (A, A, N), (A, A, N), (A, A, N))
])
if truncation.doubles:
fully_connected_opt_path_list.extend([
oe.contract_expression((A, A, N, N, N), (A, A, N), (A, A, N, N)),
oe.contract_expression((A, A, N, N, N), (A, A, N, N), (A, A, N))
])
if truncation.triples:
fully_connected_opt_path_list.append(oe.contract_expression((A, A, N, N, N), (A, A, N, N, N)))
else:
raise Exception('Hot Band amplitudes not implemented properly and have not been theoretically verified!')
return fully_connected_opt_path_list
from termfactory.
I forgot to include the actual einsum operation spec in the contraction expressions!
Need to fix this.
from termfactory.
Related Issues (20)
- Reminder to update log_conf.py
- Trying out the planning feature
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- Strip out old files HOT 2
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- Minimal prototype of linalg generator HOT 1
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- left hand side testing for `latex_eT_zhz.py` specifically around lines:
- Add test to `blanket_test.py` to produce code for eT H Z
- Automatic documentation using Sphinx HOT 3
- Possibly use the new impact analysis from code cov HOT 1
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- Change excited state code and other non implemented code to use `NotImplementedError` HOT 1
- Add test for `_write_third_eTz_einsum_python` with `suppress_empty_if_checks=False` HOT 1
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- Latest testing workflow fails for unknown reason? HOT 1
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from termfactory.