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Searched refs:gradfast (Results 1 – 5 of 5) sorted by relevance

/dports/science/tinker/tinker/other/
H A Drespa.alt133 call gradfast (ealt,derivs)
227 c ## subroutine gradfast -- fast energy & gradient components ##
232 c "gradfast" calculates the potential energy and first derivatives
236 subroutine gradfast (energy,derivs)
/dports/science/tinker/tinker/source/
H A Drespa.f117 call gradfast (ealt,derivs)
238 subroutine gradfast (energy,derivs) subroutine
H A Dmdinit.f367 call gradfast (e,derivs)
/dports/science/tinker/tinker/doc/sphinx/tinker/text/
H A Droutines.rst3032 "gradfast" calculates the potential energy and first derivatives
/dports/science/tinker/tinker/doc/sphinx/tinker/_build/latex/
H A Dtinkerusersguide.tex6517 “gradfast” calculates the potential energy and first derivatives