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curcuma
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Issues
A
src\core\energy_calculators\qm_methods\gfnffinterface.cpp
45 4 1
A
src\core\energy_calculators\qm_methods\gfnffinterface.h
6 4 -
A
src\core\energy_calculators\qm_methods\integrals.h
101 1 7
A
src\core\energy_calculators\qm_methods\interface\abstract_interface.h
24 3 -
A
src\core\energy_calculators\qm_methods\interface\ulysses.cpp
45 2 1
A
src\core\energy_calculators\qm_methods\interface\ulysses.h
5 2 -
A
src\core\energy_calculators\qm_methods\orcainterface.cpp
12 2 -
A
src\core\energy_calculators\qm_methods\orcainterface.h
10 2 -
A
src\core\energy_calculators\qm_methods\qm_driver.cpp
2 1 -
A
src\core\energy_calculators\qm_methods\qm_driver.h
4 2 1
A
src\core\energy_calculators\qm_methods\tblite_method.cpp
21 5 -
A
src\core\energy_calculators\qm_methods\tblite_method.h
4 4 2
A
src\core\energy_calculators\qm_methods\tbliteinterface.cpp
109 6 6
A
src\core\energy_calculators\qm_methods\tbliteinterface.h
15 6 -
A
src\core\energy_calculators\qm_methods\test_parser.cpp
22 1 2
A
src\core\energy_calculators\qm_methods\ulysses_method.cpp
33 5 -
A
src\core\energy_calculators\qm_methods\ulysses_method.h
4 3 2
A
src\core\energy_calculators\qm_methods\ulyssesinterface.cpp
32 4 2
A
src\core\energy_calculators\qm_methods\ulyssesinterface.h
6 4 4
A
src\core\energy_calculators\qm_methods\xtb_method.cpp
21 3 -