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make GAopt optional via export NOGAOPT=1
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bogdanoff committed Jan 7, 2020
1 parent 916be77 commit e0f362e
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3 changes: 3 additions & 0 deletions molcas/block_calldmrg.C
Original file line number Diff line number Diff line change
Expand Up @@ -201,13 +201,16 @@ void block_calldmrg (
}


char* p_nogaopt;
p_nogaopt = getenv ("NOGAOPT");
if (std::ifstream("ReOrder.dat"))
{
fcon << "reorder ReOrder.dat" << endl;
std::cout << "Read orbital order from ReOrder.dat" << std::endl;
}
else
{
if (p_nogaopt==NULL)
fcon << "gaopt default" << endl;
// std::cout << "Use genetic algorithm for orbital reordering" << std::endl;
}
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