Fixed incorrect enum

[alexxy/gromacs.git] / src / gromacs / mdlib / update_constrain_gpu_impl.h

diff --git a/src/gromacs/mdlib/update_constrain_gpu_impl.h b/src/gromacs/mdlib/update_constrain_gpu_impl.h
index 8aacc28a610d5d84fa1203578749519b875cf359..a191cc85b7fe9aa14ef7141f1d4e25b7a65599a7 100644 (file)
--- a/src/gromacs/mdlib/update_constrain_gpu_impl.h
+++ b/src/gromacs/mdlib/update_constrain_gpu_impl.h
@@ -129,6 +129,14 @@ public:
      */
     void scaleCoordinates(const matrix scalingMatrix);
 
+    /*! \brief Scale velocities on the GPU for the pressure coupling.
+     *
+     * After pressure coupling step, the box size may change. In the C-Rescale algorithm, velocities should be scaled.
+     *
+     * \param[in] scalingMatrix Velocities scaling matrix.
+     */
+    void scaleVelocities(const matrix scalingMatrix);
+
     /*! \brief Set the pointers and update data-structures (e.g. after NB search step).
      *
      * \param[in,out]  d_x            Device buffer with coordinates.