Fixed incorrect enum

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

diff --git a/src/gromacs/mdlib/coupling.h b/src/gromacs/mdlib/coupling.h
index 37c016655476bcfa81e9e98f89cd5508e6b2745e..1d95925b8153f6dbdda1dffad3a0192dfa41e040 100644 (file)
--- a/src/gromacs/mdlib/coupling.h
+++ b/src/gromacs/mdlib/coupling.h
@@ -206,6 +206,28 @@ void berendsen_pscale(const t_inputrec*    ir,
                       const unsigned short cFREEZE[],
                       t_nrnb*              nrnb,
                       bool                 scaleCoordinates);
+void crescale_pcoupl(FILE*             fplog,
+                     int64_t           step,
+                     const t_inputrec* ir,
+                     real              dt,
+                     const tensor      pres,
+                     const matrix      box,
+                     const matrix      force_vir,
+                     const matrix      constraint_vir,
+                     matrix            mu,
+                     double*           baros_integral);
+
+void crescale_pscale(const t_inputrec*    ir,
+                     const matrix         mu,
+                     matrix               box,
+                     matrix               box_rel,
+                     int                  start,
+                     int                  nr_atoms,
+                     rvec                 x[],
+                     rvec                 v[],
+                     const unsigned short cFREEZE[],
+                     t_nrnb*              nrnb,
+                     bool                 scaleCoordinates);
 
 void pleaseCiteCouplingAlgorithms(FILE* fplog, const t_inputrec& ir);