Add check for coupled constraints for CUDA update

[alexxy/gromacs.git] / src / gromacs / mdlib / lincs_cuda.cuh

diff --git a/src/gromacs/mdlib/lincs_cuda.cuh b/src/gromacs/mdlib/lincs_cuda.cuh
index 99589f33cf9ec843c5fe315caa8328240ab0cd1c..06c8bb40ab0eb4abf0837c90227dd93d69a65e97 100644 (file)
--- a/src/gromacs/mdlib/lincs_cuda.cuh
+++ b/src/gromacs/mdlib/lincs_cuda.cuh
@@ -166,6 +166,13 @@ public:
      */
     void setPbc(const t_pbc* pbc);
 
+    /*! \brief
+     * Returns whether the maximum number of coupled constraints is supported
+     * by the CUDA LINCS code.
+     *
+     * \param[in] mtop The molecular topology
+     */
+    static bool isNumCoupledConstraintsSupported(const gmx_mtop_t& mtop);
 
 private:
     //! CUDA stream