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curcuma
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test_cases\cli\rmsd\05_fragment_rmsd\run_test.sh
 2 1
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src\core\energy_calculators\method_factory.cpp
73 6 1
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test_cases\cli\simplemd\01_nve_short_run\run_test.sh
 3 2
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src\capabilities\curcumaopt_modern.h
13 1 -
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test_cases\cli\simplemd\03_invalid_thermostat\run_test.sh
 3 3
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src\core\energy_calculators\qm_methods\GTOIntegrals.hpp
46 1 2
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test_cases\cli\simplemd\05_spheric_wall\run_test.sh
 3 2
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src\capabilities\optimizer_interface.h
0 1 -
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test_cases\cli\simplemd\07_restart_simulation\run_test.sh
 3 3
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src\core\energy_calculators\qm_methods\STOIntegrals.hpp
134 1 6
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src\capabilities\c_code\interface.c
8 1 -
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src\core\energy_calculators\qm_methods\eht.cpp
81 2 1
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src\core\energy_calculators\qm_methods\dftd3interface.cpp
31 3 1
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.github\workflows\ccpp.yml
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scripts\build_unix.sh
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scripts\param_parser\main.cpp
25 3 1
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src\capabilities\c_code\interface.h
0 1 -
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src\capabilities\hessian.cpp
128 16 4
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src\capabilities\polybuild.cpp
0 1 2
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src\core\energy_calculators\qm_methods\eht.h
5 2 2