diff --git a/regtest/crystdistrib/rt-bops/colvar.reference b/regtest/crystdistrib/rt-bops/colvar.reference index 75f0d872dd..c7f1e94b5c 100644 --- a/regtest/crystdistrib/rt-bops/colvar.reference +++ b/regtest/crystdistrib/rt-bops/colvar.reference @@ -1,4 +1,4 @@ #! FIELDS time s - 0.000000 10.66 - 0.025000 922.28 - 0.050000 993.43 + 0.000000 925.50 + 0.025000 1019.81 + 0.050000 1064.21 diff --git a/regtest/crystdistrib/rt-bops/config b/regtest/crystdistrib/rt-bops/config index 344183aa97..00a6231889 100644 --- a/regtest/crystdistrib/rt-bops/config +++ b/regtest/crystdistrib/rt-bops/config @@ -2,3 +2,11 @@ type=driver plumed_modules="adjmat crystdistrib" arg="--plumed plumed.dat --mf_xtc em.xtc --mc mcfile --timestep=0.001 --trajectory-stride=25" extra_files="../../trajectories/em.xtc" + +function plumed_regtest_before() { + export PLUMED_FORBID_CHAINS=yes +} + +function plumed_regtest_after() { + export PLUMED_FORBID_CHAINS=no +} diff --git a/regtest/crystdistrib/rt-bops/plumed.dat b/regtest/crystdistrib/rt-bops/plumed.dat index 7249b9de3b..1c3d0191d2 100644 --- a/regtest/crystdistrib/rt-bops/plumed.dat +++ b/regtest/crystdistrib/rt-bops/plumed.dat @@ -260,6 +260,8 @@ ops: CUSTOM ARG=qp.i,qp.j,qp.k,c1.w VAR=i,j,k,d FUNC=((2.26628554234*exp(-(32.27 ones: ONES SIZE=252 +cc: MATRIX_VECTOR_PRODUCT ARG=qp.i,ones +PRINT ARG=cc FILE=cc FMT=%8.4f sdot: MATRIX_VECTOR_PRODUCT ARG=ops,ones s: SUM ARG=sdot PERIODIC=NO