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curcuma
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Issues
A
src\core\energy_calculators\qm_methods\gfnffinterface.h
6 4 -
A
src\capabilities\optimizer_driver.h
6 1 1
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src\core\energy_calculators\qm_methods\ulyssesinterface.h
6 4 4
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src\capabilities\polybuild.h
7 1 1
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src\core\energycalculator.h
7 30 -
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src\core\energy_calculators\computational_method.h
7 2 -
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src\core\energy_calculators\ff_methods\uff_par.h
8 1 4
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src\capabilities\c_code\interface.c
8 1 -
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src\capabilities\rmsd\rmsd_costmatrix.h
9 1 -
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src\core\energycalculator_enums.h
10 1 -
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src\capabilities\rmsd\rmsd_functions.h
10 1 -
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src\core\energy_calculators\qm_methods\orcainterface.h
10 2 -
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test_cases\test_confstat.cpp
10 1 -
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test_cases\simple_ulysses_test.cpp
10 1 2
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src\capabilities\qmdfffit.h
11 7 -
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src\capabilities\lbfgspp_optimizer.h
11 1 -
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src\capabilities\rmsd\rmsd_assignment.cpp
11 1 -
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src\core\energy_calculators\qm_methods\dftd4interface.cpp
12 3 -
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src\capabilities\optimiser\LBFGSppInterface.h
12 5 2
A
test_cases\test_cg_potentials.cpp
12 1 -