diff --git a/regtest/dimred/rt-mds/config b/regtest/dimred/rt-mds/config index 57d886c44c9b5b615e6e31bf117a02928408814b..4732f49397fd6742c7a7913afed3ce72af4fea72 100644 --- a/regtest/dimred/rt-mds/config +++ b/regtest/dimred/rt-mds/config @@ -1,2 +1,2 @@ type=simplemd - +plumed_modules=dimred diff --git a/regtest/dimred/rt-mds2/config b/regtest/dimred/rt-mds2/config index 57d886c44c9b5b615e6e31bf117a02928408814b..4732f49397fd6742c7a7913afed3ce72af4fea72 100644 --- a/regtest/dimred/rt-mds2/config +++ b/regtest/dimred/rt-mds2/config @@ -1,2 +1,2 @@ type=simplemd - +plumed_modules=dimred diff --git a/regtest/dimred/rt-pca-2/config b/regtest/dimred/rt-pca-2/config index ef0169fdfabd7118539f08b2394fe8e619f9bb66..5d3bd9028969e8999b358d3159c1366dd4e0793c 100644 --- a/regtest/dimred/rt-pca-2/config +++ b/regtest/dimred/rt-pca-2/config @@ -1,2 +1,3 @@ type=driver +plumed_modules=dimred arg="--plumed plumed.dat --ixyz diala_traj_nm.xyz" diff --git a/regtest/dimred/rt-pca-osample/config b/regtest/dimred/rt-pca-osample/config index ef0169fdfabd7118539f08b2394fe8e619f9bb66..5d3bd9028969e8999b358d3159c1366dd4e0793c 100644 --- a/regtest/dimred/rt-pca-osample/config +++ b/regtest/dimred/rt-pca-osample/config @@ -1,2 +1,3 @@ type=driver +plumed_modules=dimred arg="--plumed plumed.dat --ixyz diala_traj_nm.xyz" diff --git a/regtest/dimred/rt-pca/config b/regtest/dimred/rt-pca/config index ef0169fdfabd7118539f08b2394fe8e619f9bb66..5d3bd9028969e8999b358d3159c1366dd4e0793c 100644 --- a/regtest/dimred/rt-pca/config +++ b/regtest/dimred/rt-pca/config @@ -1,2 +1,3 @@ type=driver +plumed_modules=dimred arg="--plumed plumed.dat --ixyz diala_traj_nm.xyz" diff --git a/regtest/dimred/rt-smap-osample/config b/regtest/dimred/rt-smap-osample/config index bc4e14b1c2d401ec57fe18e4aaba972a0ee71644..8bb5f26c418c2817e1cc755c8850e1f3f385fbf2 100644 --- a/regtest/dimred/rt-smap-osample/config +++ b/regtest/dimred/rt-smap-osample/config @@ -1,3 +1,4 @@ type=driver +plumed_modules=dimred # this is to test a different name arg="--plumed plumed.dat --noatoms" diff --git a/regtest/dimred/rt-smap-pointwise/config b/regtest/dimred/rt-smap-pointwise/config index bc4e14b1c2d401ec57fe18e4aaba972a0ee71644..8bb5f26c418c2817e1cc755c8850e1f3f385fbf2 100644 --- a/regtest/dimred/rt-smap-pointwise/config +++ b/regtest/dimred/rt-smap-pointwise/config @@ -1,3 +1,4 @@ type=driver +plumed_modules=dimred # this is to test a different name arg="--plumed plumed.dat --noatoms" diff --git a/regtest/dimred/rt-smap-read/config b/regtest/dimred/rt-smap-read/config index bc4e14b1c2d401ec57fe18e4aaba972a0ee71644..8bb5f26c418c2817e1cc755c8850e1f3f385fbf2 100644 --- a/regtest/dimred/rt-smap-read/config +++ b/regtest/dimred/rt-smap-read/config @@ -1,3 +1,4 @@ type=driver +plumed_modules=dimred # this is to test a different name arg="--plumed plumed.dat --noatoms" diff --git a/regtest/dimred/rt-smap-smacof/config b/regtest/dimred/rt-smap-smacof/config index bc4e14b1c2d401ec57fe18e4aaba972a0ee71644..8bb5f26c418c2817e1cc755c8850e1f3f385fbf2 100644 --- a/regtest/dimred/rt-smap-smacof/config +++ b/regtest/dimred/rt-smap-smacof/config @@ -1,3 +1,4 @@ type=driver +plumed_modules=dimred # this is to test a different name arg="--plumed plumed.dat --noatoms" diff --git a/regtest/dimred/rt-smap1/config b/regtest/dimred/rt-smap1/config index bc4e14b1c2d401ec57fe18e4aaba972a0ee71644..8bb5f26c418c2817e1cc755c8850e1f3f385fbf2 100644 --- a/regtest/dimred/rt-smap1/config +++ b/regtest/dimred/rt-smap1/config @@ -1,3 +1,4 @@ type=driver +plumed_modules=dimred # this is to test a different name arg="--plumed plumed.dat --noatoms" diff --git a/regtest/dimred/rt-store-histo/config b/regtest/dimred/rt-store-histo/config index f93ec1a97465724691bf162d4735f5ea3648bbb4..114e810256bdb10a7dd2d17d2fdeeef509503196 100644 --- a/regtest/dimred/rt-store-histo/config +++ b/regtest/dimred/rt-store-histo/config @@ -1,3 +1,4 @@ type=driver +plumed_modules=dimred # this is to test a different name arg="--plumed plumed.dat --ixyz trajectory.xyz" diff --git a/src/gridtools/GridVessel.cpp b/src/gridtools/GridVessel.cpp index 97661dd8470613cbed0a327cc4648f57a346492b..a1a985bb3bd756a1abfe667843ea386102007cba 100644 --- a/src/gridtools/GridVessel.cpp +++ b/src/gridtools/GridVessel.cpp @@ -213,8 +213,8 @@ void GridVessel::getSplineNeighbors( const unsigned& mybox, unsigned& nneighbors if( mysneigh.size()!=nneigh ) mysneigh.resize(nneigh); unsigned inind; nneighbors = 0; - static std::vector<unsigned> tmp_indices( dimension ); - static std::vector<unsigned> my_indices( dimension ); + std::vector<unsigned> tmp_indices( dimension ); + std::vector<unsigned> my_indices( dimension ); getIndices( mybox, my_indices ); for(unsigned i=0;i<nneigh;++i){ unsigned tmp=i; inind=0;