Make AWH bias sharing more flexible

[alexxy/gromacs.git] / src / gromacs / applied_forces / awh / tests / bias_fep_lambda_state.cpp

diff --git a/src/gromacs/applied_forces/awh/tests/bias_fep_lambda_state.cpp b/src/gromacs/applied_forces/awh/tests/bias_fep_lambda_state.cpp
index fd728f99ecb3412af1d6641fd6b8dc4eb57f7cac..e8eed23aca2006b67a4e340ae2d5f8a1b790e605 100644 (file)
--- a/src/gromacs/applied_forces/awh/tests/bias_fep_lambda_state.cpp
+++ b/src/gromacs/applied_forces/awh/tests/bias_fep_lambda_state.cpp
@@ -127,7 +127,7 @@ public:
                                        params_->dimParams,
                                        params_->beta,
                                        mdTimeStep,
-                                       1,
+                                       nullptr,
                                        "",
                                        Bias::ThisRankWillDoIO::No,
                                        disableUpdateSkips);
@@ -177,8 +177,6 @@ TEST_P(BiasFepLambdaStateTest, ForcesBiasPmf)
                                                                             neighborLambdaDhdl,
                                                                             &potential,
                                                                             &potentialJump,
-                                                                            nullptr,
-                                                                            nullptr,
                                                                             step * mdTimeStep,
                                                                             step,
                                                                             seed_,
@@ -256,7 +254,7 @@ TEST(BiasFepLambdaStateTest, DetectsCovering)
               params.dimParams,
               params.beta,
               mdTimeStep,
-              1,
+              nullptr,
               "",
               Bias::ThisRankWillDoIO::No);
 
@@ -288,8 +286,6 @@ TEST(BiasFepLambdaStateTest, DetectsCovering)
                                     neighborLambdaDhdl,
                                     &potential,
                                     &potentialJump,
-                                    nullptr,
-                                    nullptr,
                                     step,
                                     step,
                                     params.awhParams.seed(),