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fixed formatting
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mcocdawc committed Nov 26, 2024
1 parent 19b5474 commit 6602e53
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Showing 5 changed files with 5 additions and 5 deletions.
2 changes: 1 addition & 1 deletion src/quemb/kbe/pbe.py
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from pyscf.pbc import df, gto
from pyscf.pbc.df.df_jk import _ewald_exxdiv_for_G0

from quemb.shared import be_var
from quemb.kbe.misc import storePBE
from quemb.kbe.pfrag import Frags
from quemb.shared import be_var


class BE:
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2 changes: 1 addition & 1 deletion src/quemb/molbe/external/optqn.py
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import numpy

from quemb.shared import be_var
from quemb.molbe.external.cphf_utils import cphf_kernel_batch, get_rhf_dP_from_u
from quemb.molbe.external.cpmp2_utils import get_dPmp2_batch_r
from quemb.molbe.external.jac_utils import get_dPccsdurlx_batch_u
from quemb.molbe.helper import get_eri, get_scfObj
from quemb.shared import be_var


def line_search_LF(func, xold, fold, dx, iter_):
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2 changes: 1 addition & 1 deletion src/quemb/molbe/mbe.py
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Expand Up @@ -7,11 +7,11 @@
import numpy
from pyscf import ao2mo

from quemb.shared import be_var
from quemb.molbe.be_parallel import be_func_parallel
from quemb.molbe.eri_onthefly import integral_direct_DF
from quemb.molbe.pfrag import Frags
from quemb.molbe.solver import be_func
from quemb.shared import be_var


class storeBE:
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2 changes: 1 addition & 1 deletion src/quemb/molbe/solver.py
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from pyscf import ao2mo, cc, fci, mcscf, mp
from pyscf.cc.ccsd_rdm import make_rdm2

from quemb.shared import be_var
from quemb.molbe.external.ccsd_rdm import (
make_rdm1_ccsd_t1,
make_rdm1_uccsd,
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from quemb.molbe.external.uccsd_eri import make_eris_incore
from quemb.molbe.external.unrestricted_utils import make_uhf_obj
from quemb.molbe.helper import get_frag_energy, get_frag_energy_u, unused
from quemb.shared import be_var


def be_func(
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2 changes: 1 addition & 1 deletion src/quemb/molbe/ube.py
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Expand Up @@ -18,12 +18,12 @@
import numpy
from pyscf import ao2mo

from quemb.shared import be_var
from quemb.molbe.be_parallel import be_func_parallel_u
from quemb.molbe.helper import unused
from quemb.molbe.mbe import BE
from quemb.molbe.pfrag import Frags
from quemb.molbe.solver import be_func_u
from quemb.shared import be_var


class UBE(BE): # 🍠
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