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curcuma
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Issues
A
src\helpers\polymer_topo.cpp
119 1 5
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src\capabilities\lbfgspp_optimizer.h
11 1 -
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python_scripts\distance_histogram.py
17 1 -
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src\capabilities\rmsd\rmsd_assignment.cpp
11 1 -
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src\helpers\storage_bench.cpp
54 1 2
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src\capabilities\rmsd\rmsd_costmatrix.cpp
14 1 -
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src\capabilities\native_lbfgs_optimizer.cpp
27 1 1
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src\capabilities\rmsd\rmsd_functions.h
10 1 -
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src\capabilities\analysenciplot.h
5 1 -
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src\capabilities\rmsd\rmsd_strategies.h
16 1 -
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src\core\energy_calculators\ff_methods\cg_potentials.h
0 1 -
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src\capabilities\nebdocking.h
3 1 -
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src\helpers\xtb_helper.cpp
6 1 1
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src\pch\pch_external.h
0 1 -
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src\pch\pch_base.h
0 1 -
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src\core\pseudoff.h
4 1 -
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src\core\energy_calculators\qm_methods\integrals.h
101 1 7
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src\core\energy_calculators\qm_methods\ParallelEigenSolver.hpp
146 1 5
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src\capabilities\trajectory_statistics.h
0 1 -
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src\capabilities\polybuild.cpp
0 1 1