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removed wrong merge
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mcocdawc committed Jan 17, 2025
1 parent 4664380 commit cb7f8e7
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/quemb/molbe/solver.py
Original file line number Diff line number Diff line change
Expand Up @@ -911,7 +911,7 @@ def solve_block2(
mc.fcisolver.scratchDirectory = frag_scratch.path
mc.fcisolver.runtimeDir = frag_scratch.path
mc.fcisolver.memory = DMRG_args.max_mem
os.chdir(frag_scratch.path)
os.chdir(frag_scratch)

mc.kernel(orbs)
rdm1, rdm2 = dmrgscf.DMRGCI.make_rdm12(
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