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Issues
A
src\core\energy_calculators\qm_methods\dftd3interface.h
17 4 -
A
src\core\energy_calculators\qm_methods\dftd4interface.cpp
12 3 -
A
src\core\energy_calculators\qm_methods\dftd4interface.h
14 4 -
A
src\core\energy_calculators\qm_methods\dispersion_method.cpp
28 4 -
A
src\core\energy_calculators\qm_methods\dispersion_method.h
4 4 1
A
src\core\energy_calculators\qm_methods\eht.cpp
81 2 1
A
src\core\energy_calculators\qm_methods\eht.h
5 2 2
A
src\core\energy_calculators\qm_methods\eht_method.cpp
80 2 4
A
src\core\energy_calculators\qm_methods\eht_method.h
4 3 -
A
src\core\energy_calculators\qm_methods\eht_parameters.cpp
23 1 -
A
src\core\energy_calculators\qm_methods\eht_parameters.h
3 1 -
A
src\core\energy_calculators\qm_methods\external_gfnff_method.cpp
25 5 -
A
src\core\energy_calculators\qm_methods\external_gfnff_method.h
6 3 -
A
src\core\energy_calculators\qm_methods\gfn2-xtb_param.hpp
19 1 2
A
src\core\energy_calculators\qm_methods\gfnff.cpp
115 3 1
A
src\core\energy_calculators\qm_methods\gfnff.h
3 2 7
A
src\core\energy_calculators\qm_methods\gfnff_advanced.cpp
47 1 -
A
src\core\energy_calculators\qm_methods\gfnff_advanced.h
1 1 -
A
src\core\energy_calculators\qm_methods\gfnff_method.cpp
15 2 -
A
src\core\energy_calculators\qm_methods\gfnff_method.h
4 3 -