TYPE_OF_DENSITY |
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| TYPE_OF_DENSITY (FULL|SPIN)
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| Specifies the type of density used for the fitting
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| This optional keyword expects a keyword. Default value: FULL
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| valid keywords: FULL : Full density
SPIN : Spin density
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STRENGTH |
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| STRENGTH {real}
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| force constant of the restraint
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| This optional keyword expects a real. Default value: 1.0000000000000001E-01
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TARGET |
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| TARGET {real}
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| target value of the restraint
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| This optional keyword expects a real. Default value: 1.0000000000000000E+00
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ATOMS |
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| ATOMS {integer} {integer} .. {integer}
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| Specifies the list of atoms that is summed in the restraint
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| This required keyword expects a list of integers |
COEFF |
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| COEFF 1.0 -1.0
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| Defines the the coefficient of the atom in the atom list (default is one)
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| This optional keyword expects a list of reals |
FUNCTIONAL_FORM |
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| FUNCTIONAL_FORM RESTRAINT
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| Specifies the functional form of the term added
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| This optional keyword expects a keyword. Default value: RESTRAINT
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| valid keywords: RESTRAINT : Harmonic potential: s*(q-t)**2
CONSTRAINT : Constraint form: s*(q-t)
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