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__init__.py
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# Copyright 2009-2022 SecondQuantizationAlgebra Developers. All Rights Reserved.
#
# Licensed under the GNU General Public License v3.0;
# you may not use this file except in compliance with the License.
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.
#
# In addition, any modification or use of this software should
# cite the following paper:
#
# E. Neuscamman, T. Yanai, and G. K.-L. Chan.
# J. Chem. Phys. 130, 124102 (2009)
#
# Authors: Eric Neuscamman <[email protected]>
# Alexander Yu. Sokolov <[email protected]>
# . Koushik Chatterjee <[email protected]>
# Illia Mazin <[email protected]>
# Carlos E. V. de Moura <[email protected]>
#
import sys
print("""
----------------------------------------------------------------------------------------------------
sqa_plus: Code generator for quasi-particle systems.
Copyright 2009-2022 SecondQuantizationAlgebra Developers. All Rights Reserved.
Available at https://github.com/sokolov-group/sqa_plus
Licensed under the GNU General Public License v3.0;
Unless required by applicable law or agreed to in writing, software
distributed under the License is distributed on an "AS IS" BASIS,
WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
----------------------------------------------------------------------------------------------------
""")
sys.stdout.flush()
from sqaOptions import \
options
from sqaIndex import \
index
from sqaSymmetry import \
symmetry
from sqaTensor import \
creOp, \
desOp, \
kroneckerDelta, \
sfExOp, \
creDesTensor, \
tensor
from sqaTerm import \
combineTerms, \
multiplyTerms, \
removeCoreOpPairs, \
removeCoreOps_sf, \
removeVirtOps_sf, \
sortOps, \
term, \
termChop
from sqaNormalOrder import \
normalOrder
from sqaIntermediates import \
genIntermediates
from sqaCommutator import \
commutator
from sqaMisc import \
allDifferent, \
get_num_perms, \
makePermutations, \
makeTuples, \
assign_rdm_types, \
combine_transpose, \
convert_ops_to_rdms_so
from sqaDecomposition_sf import \
decomp_3op_to_2op_2rdm_sf, \
decomp_3ops_to_2ops_2rdms_sf, \
decomp_3rdm_to_2rdm_sf, \
decomp_3rdms_to_2rdms_sf, \
decomp_4op_to_2op_2rdm_sf, \
decomp_4ops_to_2ops_2rdms_sf, \
decomp_4rdm_to_2rdm_sf, \
decomp_4rdm_to_3rdm_sf, \
decomp_4rdms_to_2rdms_sf, \
decomp_4rdms_to_3rdms_sf
from sqaDecomposition_so import \
decomp_3op_to_2op_2rdm_so, \
decomp_3op_to_2op_3rdm_so, \
decomp_3ops_to_2ops_2rdms_so, \
decomp_3ops_to_2ops_3rdms_so, \
decomp_3rdm_to_2rdm_so, \
decomp_3rdms_to_2rdms_so, \
decomp_4op_to_2op_2rdm_so, \
decomp_4op_to_2op_3rdm_so, \
decomp_4ops_to_2ops_2rdms_so, \
decomp_4ops_to_2ops_3rdms_so, \
decomp_4rdm_to_2rdm_so, \
decomp_4rdm_to_3rdm_so, \
decomp_4rdms_to_2rdms_so, \
decomp_4rdms_to_3rdms_so
from sqaMatrixBlock import \
matrixBlock, \
dummyLabel, \
filterVirtual, \
filterCore, \
normalOrderCore, \
sortOpsCore, \
contractDeltaFuncs_nondummy
from sqaHeff import \
Heff, \
dyallH, \
dyallH_act, \
Tamplitude, \
Vperturbation
from sqaEinsum import genEinsum
from sqaIndexList import \
indexLists, \
dummyIndexList
from sqaSpinAdapted import convertSpinIntegratedToAdapted