# MIXED

This section contains all information to run with a hamiltonian defined by a mixing of force_evals [Edit on GitHub]

Subsections

- COUPLING
- GENERIC
- LINEAR
- MAPPING
- MIXED_CDFT
- PRINT
- RESTRAINT

## Keywords

- GROUP_PARTITION

- MIXING_TYPE

- NGROUPS

## Keyword descriptions

GROUP_PARTITION: integer[ ]

  Usage: group_partition 2 2 4 2 4

  gives the exact number of processors for each group. If not specified processors allocated will be equally distributed for the specified subforce_eval, trying to build a number of groups equal to the number of subforce_eval specified. [Edit on GitHub]

MIXING_TYPE: enum = LINEAR_COMBINATION

  Usage: MIXING_TYPE LINEAR_COMBINATION

  Valid values:

  - `LINEAR_COMBINATION` Linear combination of force envs (support only 2 force_evals)

  - `MINIMUM` Use the force env with the minimum energy (support only 2 force_evals)

  - `COUPLED` Consider the force envs as a two state system with a given coupling matrix element (support only 2 force_evals)

  - `RESTRAINT` Use the difference between the energy of the force envs as a restraint on the first (support only 2 force_evals)

  - `GENMIX` Defines a user-driven generica coupling (support for an unlimited number of force_eval)

  - `MIXED_CDFT` Consider each force env as a CDFT state (supports an unlimited number of force_eval for calculation of CDFT properties, but only two states can be mixed for forces).

  Mentions: ⭐Constrained DFT

  The type of mixing to be employed [Edit on GitHub]

NGROUPS: integer

  Aliases: NGROUP

  Usage: ngroups 4

  Mentions: ⭐Constrained DFT

  Gives the wanted number of groups. If not specified the number of groups is set to the number of subforce_eval defined. [Edit on GitHub]