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Updated fix langevin algorithm citation

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talinke
2025-04-29 15:03:49 -07:00
parent 0ce5d68455
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doc/src/fix_langevin.rst
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@ -56,7 +56,7 @@ Examples
Description
"""""""""""
Apply a Langevin thermostat as described in :ref:`(Schneider) <Schneider1>`
Apply a Langevin thermostat as described in :ref:`(Bruenger) <Bruenger1>`
to a group of atoms which models an interaction with a background
implicit solvent. Used with :doc:`fix nve <fix_nve>`, this command
performs Brownian dynamics (BD), since the total force on each atom
@ -331,14 +331,16 @@ types, tally = no, zero = no, gjf = no.
----------
.. _Bruenger1:
**(Bruenger)** Bruenger, Brooks, and Karplus, Chem. Phys. Lett. 105, 495 (1982).
[Previously attributed to Schneider and Stoll, Phys. Rev. B 17, 1302 (1978).
Implementation remains unchanged.]
.. _Dunweg1:
**(Dunweg)** Dunweg and Paul, Int J of Modern Physics C, 2, 817-27 (1991).
.. _Schneider1:
**(Schneider)** Schneider and Stoll, Phys Rev B, 17, 1302 (1978).
.. _Gronbech-Jensen:
**(Gronbech-Jensen)** Gronbech-Jensen and Farago, Mol Phys, 111, 983