MIXING_TYPE |
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| MIXING_TYPE LINEAR_COMBINATION
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| The type of mixing to be employed
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| This optional keyword expects a keyword. Default value: LINEAR_COMBINATION
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| valid keywords: 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)
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GROUP_PARTITION |
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| group_partition 2 2 4 2 4
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| 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.
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| This optional keyword expects a list of integers |
NGROUPS |
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| ngroups 4
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| Gives the wanted number of groups. If not specified the number of groups is set to the number of subforce_eval defined.
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| This optional keyword expects an integer |
| variants: NGROUP |