Calculates the energy and its derivative due to a tether.
Type | Intent | Optional | Attributes | Name | ||
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real(kind=rp), | intent(in) | :: | qmag | Distance between the tethered atom & the tether point |
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integer, | intent(in) | :: | sty | Tether style |
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real(kind=rp), | intent(in), | dimension(:) | :: | params | Parameters for tether interaction |
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real(kind=rp), | intent(out) | :: | enrg | Energy due to this tether |
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real(kind=rp), | intent(out) | :: | frc | |||
integer, | intent(out) | :: | ierr | Error flag |