DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
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Classes | |
class | dftfe::MixingScheme |
This class performs the anderson mixing in a variable agnostic way This class takes can take different input variables as input in a std::vector format and computes the mixing coefficients These coefficients can then be used to compute the new variable at the start of the SCF. More... | |
Namespaces | |
namespace | dftfe |
Enumerations | |
enum class | dftfe::mixingVariable { dftfe::rho , dftfe::gradRho , dftfe::magZ , dftfe::gradMagZ , dftfe::hubbardOccupation } |
Enum class that stores he list of variables that will can be used in the mixing scheme. More... | |