Excited states
Say Excited=5 to get the gs and the next 4 excited states. This label is optional and defaults to 0 (which means g.s.) Only energies are printed for now.
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- src/Engine/DefaultSymmetry.h 2 additions, 3 deletionssrc/Engine/DefaultSymmetry.h
- src/Engine/Engine.h 102 additions, 43 deletionssrc/Engine/Engine.h
- src/Engine/LanczosDriver.h 3 additions, 1 deletionsrc/Engine/LanczosDriver.h
- src/Engine/LanczosDriver1.h 11 additions, 11 deletionssrc/Engine/LanczosDriver1.h
- src/Engine/ProgramGlobals.h 21 additions, 0 deletionssrc/Engine/ProgramGlobals.h
- src/Engine/ReflectionSymmetry.h 8 additions, 11 deletionssrc/Engine/ReflectionSymmetry.h
- src/Engine/TranslationSymmetry.h 21 additions, 9 deletionssrc/Engine/TranslationSymmetry.h
- src/Version.h 1 addition, 1 deletionsrc/Version.h
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