diff --git a/regtest/basic/rt-fix-228/COLVAR.0.reference b/regtest/basic/rt-fix-228/COLVAR.0.reference new file mode 100644 index 0000000000000000000000000000000000000000..02d36ac86acd957dc5566aeec75b985e513e0978 --- /dev/null +++ b/regtest/basic/rt-fix-228/COLVAR.0.reference @@ -0,0 +1,2 @@ +#! FIELDS time d + 0.000000 1.732051 diff --git a/regtest/basic/rt-fix-228/COLVAR.1.reference b/regtest/basic/rt-fix-228/COLVAR.1.reference new file mode 100644 index 0000000000000000000000000000000000000000..48952e84922f4213c93032ec1d017332347b5773 --- /dev/null +++ b/regtest/basic/rt-fix-228/COLVAR.1.reference @@ -0,0 +1,2 @@ +#! FIELDS time d + 0.000000 6.928203 diff --git a/regtest/basic/rt-fix-228/Makefile b/regtest/basic/rt-fix-228/Makefile new file mode 100644 index 0000000000000000000000000000000000000000..3703b27cea227aa053fb6d1d73f861e4384dbcee --- /dev/null +++ b/regtest/basic/rt-fix-228/Makefile @@ -0,0 +1 @@ +include ../../scripts/test.make diff --git a/regtest/basic/rt-fix-228/config b/regtest/basic/rt-fix-228/config new file mode 100644 index 0000000000000000000000000000000000000000..4ae6da5caf62b180ea7904e4a70de920753964f3 --- /dev/null +++ b/regtest/basic/rt-fix-228/config @@ -0,0 +1,4 @@ +mpiprocs=2 +type=driver +# this is to test a different name +arg="--plumed plumed.dat --ixyz traj.xyz --multi 2" diff --git a/regtest/basic/rt-fix-228/plumed.0.dat b/regtest/basic/rt-fix-228/plumed.0.dat new file mode 100644 index 0000000000000000000000000000000000000000..e74e380096b4a8459b0199929bd9ba66a430d2f4 --- /dev/null +++ b/regtest/basic/rt-fix-228/plumed.0.dat @@ -0,0 +1,2 @@ +d: DISTANCE ATOMS=1,2 +PRINT ARG=d FILE=COLVAR diff --git a/regtest/basic/rt-fix-228/plumed.1.dat b/regtest/basic/rt-fix-228/plumed.1.dat new file mode 100644 index 0000000000000000000000000000000000000000..b16f2d7a092833aa76db3752427ccbd6e12192a7 --- /dev/null +++ b/regtest/basic/rt-fix-228/plumed.1.dat @@ -0,0 +1,2 @@ +d: DISTANCE ATOMS=1,3 +PRINT ARG=d FILE=COLVAR diff --git a/regtest/basic/rt-fix-228/traj.xyz b/regtest/basic/rt-fix-228/traj.xyz new file mode 100644 index 0000000000000000000000000000000000000000..6a43046ec4e9b39a93a2eb9ff7de4e1e52d7bf66 --- /dev/null +++ b/regtest/basic/rt-fix-228/traj.xyz @@ -0,0 +1,5 @@ +3 +0 0 0 +Ar 1 2 3 +Ar 2 3 4 +Ar 5 6 7