Refactor md_enums

[alexxy/gromacs.git] / src / gromacs / mdlib / shake.cpp

diff --git a/src/gromacs/mdlib/shake.cpp b/src/gromacs/mdlib/shake.cpp
index e638fc993af2bd9940f4cfe9ca9028306472fe09..80e2deee7eb95e48c6c968e901efa39dc29367ac 100644 (file)
--- a/src/gromacs/mdlib/shake.cpp
+++ b/src/gromacs/mdlib/shake.cpp
@@ -4,7 +4,7 @@
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
  * Copyright (c) 2013,2014,2015,2017,2018 by the GROMACS development team.
- * Copyright (c) 2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2019,2020,2021, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -746,7 +746,7 @@ static bool bshakef(FILE*                         log,
                         prime,
                         pbc,
                         shaked->omega,
-                        ir.efep != efepNO,
+                        ir.efep != FreeEnergyPerturbationType::No,
                         lambda,
                         lam,
                         invdt,
@@ -774,7 +774,7 @@ static bool bshakef(FILE*                         log,
     /* only for position part? */
     if (econq == ConstraintVariable::Positions)
     {
-        if (ir.efep != efepNO)
+        if (ir.efep != FreeEnergyPerturbationType::No)
         {
             ArrayRef<const t_iparams> iparams = idef.iparams;