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curcuma
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src\version.h
0 1 -
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src\core\energy_calculators\ff_methods\forcefieldfunctions.h
33 1 1
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test_cases\cli\cg\01_single_point\run_test.sh
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src\capabilities\optimization_validator.h
3 1 -
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test_cases\cli\confscan\02_get_rmsd\run_test.sh
 3 1
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src\core\energy_calculators\ff_methods\forcefieldgenerator.h
36 2 -
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test_cases\cli\confscan\04_slx_logic\run_test.sh
 3 1
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src\core\energy_calculators\qm_methods\dispersion_method.cpp
28 4 -
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test_cases\cli\confscan\06_heavy_only\run_test.sh
 3 1
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src\core\energy_calculators\ff_methods\forcefieldthread.h
18 3 7
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src\capabilities\optimizer_driver.h
6 1 1
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src\capabilities\persistentdiagram.h
29 6 -
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src\core\energy_calculators\qm_methods\dispersion_method.h
4 4 1
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src\core\energy_calculators\qm_methods\eht.cpp
81 2 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
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src\capabilities\hessian.cpp
128 16 4
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src\capabilities\polybuild.cpp
0 1 2