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Update block2_dmrg_solver.cc (#424)
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Fix scratch in block2_dmrg_solver after removing the molecule name.
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lcyyork authored Oct 21, 2024
1 parent ec4d442 commit 6b1d437
Showing 1 changed file with 1 addition and 2 deletions.
3 changes: 1 addition & 2 deletions forte/dmrg/block2_dmrg_solver.cc
Original file line number Diff line number Diff line change
Expand Up @@ -233,8 +233,7 @@ Block2DMRGSolver::Block2DMRGSolver(StateInfo state, size_t nroot, std::shared_pt
options_->get_bool("BLOCK2_SPIN_ADAPTED");
std::string scratch = psi::PSIOManager::shared_object()->get_default_path() + "forte." +
std::to_string(getpid()) + ".block2." +
std::to_string(mo_space_info_->size("ACTIVE")) + "." +
state.str_short();
std::to_string(mo_space_info_->size("ACTIVE"));
Block2ScratchManager::manager().scratch_folders.insert(scratch);
size_t stack_mem =
static_cast<size_t>(options_->get_double("BLOCK2_STACK_MEM") * 1024 * 1024 * 1024);
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