Skip to content

Commit

Permalink
Ran astyle
Browse files Browse the repository at this point in the history
  • Loading branch information
Gareth Aneurin Tribello authored and Gareth Aneurin Tribello committed Aug 19, 2024
1 parent 8be05b8 commit daa3a83
Show file tree
Hide file tree
Showing 2 changed files with 15 additions and 15 deletions.
6 changes: 3 additions & 3 deletions src/tools/MultiValue.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -58,9 +58,9 @@ void MultiValue::clearAll() {
for(unsigned i=0; i<values.size(); ++i) values[i]=0;
// Clear matrix derivative indices
for(unsigned i=0; i<matrix_row_nderivatives.size(); ++i) {
unsigned base = i*nderivatives;
for(unsigned j=0; j<matrix_row_nderivatives[i]; ++j) matrix_force_stash[base + matrix_row_derivative_indices[i][j]] = 0;
matrix_row_nderivatives[i]=0;
unsigned base = i*nderivatives;
for(unsigned j=0; j<matrix_row_nderivatives[i]; ++j) matrix_force_stash[base + matrix_row_derivative_indices[i][j]] = 0;
matrix_row_nderivatives[i]=0;
}
#ifndef NDEBUG
for(unsigned i=0; i<matrix_force_stash.size(); ++i) plumed_assert( fabs(matrix_force_stash[i])<epsilon );
Expand Down
24 changes: 12 additions & 12 deletions src/valtools/VStack.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -151,21 +151,21 @@ void VStack::runEndOfRowJobs( const unsigned& ival, const std::vector<unsigned>
std::vector<unsigned>& matrix_indices( myvals.getMatrixRowDerivativeIndices( nmat ) );
plumed_assert( nmat_ind<matrix_indices.size() );
if( actionInChain() ) {
for(unsigned i=0; i<getNumberOfArguments(); ++i) {
unsigned istrn = getPntrToArgument(i)->getPositionInStream();
for(unsigned k=0; k<myvals.getNumberActive(istrn); ++k) {
bool found=false; unsigned thisind=myvals.getActiveIndex(istrn,k);
for(unsigned j=0; j<nmat_ind; ++j) {
if( thisind==matrix_indices[j] ) { found=true; break; }
}
if( !found ) { matrix_indices[nmat_ind] = thisind; nmat_ind++; }
for(unsigned i=0; i<getNumberOfArguments(); ++i) {
unsigned istrn = getPntrToArgument(i)->getPositionInStream();
for(unsigned k=0; k<myvals.getNumberActive(istrn); ++k) {
bool found=false; unsigned thisind=myvals.getActiveIndex(istrn,k);
for(unsigned j=0; j<nmat_ind; ++j) {
if( thisind==matrix_indices[j] ) { found=true; break; }
}
if( !found ) { matrix_indices[nmat_ind] = thisind; nmat_ind++; }
}
myvals.setNumberOfMatrixRowDerivatives( nmat, nmat_ind );
}
myvals.setNumberOfMatrixRowDerivatives( nmat, nmat_ind );
} else {
unsigned ncols = getConstPntrToComponent(0)->getShape()[0];
for(unsigned i=0; i<getNumberOfArguments(); ++i) matrix_indices[i] = i*ncols + ival;
myvals.setNumberOfMatrixRowDerivatives( nmat, getNumberOfArguments() );
unsigned ncols = getConstPntrToComponent(0)->getShape()[0];
for(unsigned i=0; i<getNumberOfArguments(); ++i) matrix_indices[i] = i*ncols + ival;
myvals.setNumberOfMatrixRowDerivatives( nmat, getNumberOfArguments() );
}
}

Expand Down

1 comment on commit daa3a83

@PlumedBot
Copy link
Contributor

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Found broken examples in automatic/ANGLES.tmp
Found broken examples in automatic/ANN.tmp
Found broken examples in automatic/CAVITY.tmp
Found broken examples in automatic/CLASSICAL_MDS.tmp
Found broken examples in automatic/CLUSTER_DIAMETER.tmp
Found broken examples in automatic/CLUSTER_DISTRIBUTION.tmp
Found broken examples in automatic/CLUSTER_PROPERTIES.tmp
Found broken examples in automatic/CONSTANT.tmp
Found broken examples in automatic/CONTACT_MATRIX.tmp
Found broken examples in automatic/CONTACT_MATRIX_PROPER.tmp
Found broken examples in automatic/COORDINATIONNUMBER.tmp
Found broken examples in automatic/DFSCLUSTERING.tmp
Found broken examples in automatic/DISTANCE_FROM_CONTOUR.tmp
Found broken examples in automatic/EDS.tmp
Found broken examples in automatic/EMMI.tmp
Found broken examples in automatic/ENVIRONMENTSIMILARITY.tmp
Found broken examples in automatic/FIND_CONTOUR.tmp
Found broken examples in automatic/FIND_CONTOUR_SURFACE.tmp
Found broken examples in automatic/FIND_SPHERICAL_CONTOUR.tmp
Found broken examples in automatic/FOURIER_TRANSFORM.tmp
Found broken examples in automatic/FUNCPATHGENERAL.tmp
Found broken examples in automatic/FUNCPATHMSD.tmp
Found broken examples in automatic/FUNNEL.tmp
Found broken examples in automatic/FUNNEL_PS.tmp
Found broken examples in automatic/GHBFIX.tmp
Found broken examples in automatic/GPROPERTYMAP.tmp
Found broken examples in automatic/HBOND_MATRIX.tmp
Found broken examples in automatic/INCLUDE.tmp
Found broken examples in automatic/INCYLINDER.tmp
Found broken examples in automatic/INENVELOPE.tmp
Found broken examples in automatic/INTERPOLATE_GRID.tmp
Found broken examples in automatic/LOCAL_AVERAGE.tmp
Found broken examples in automatic/MAZE_OPTIMIZER_BIAS.tmp
Found broken examples in automatic/MAZE_RANDOM_ACCELERATION_MD.tmp
Found broken examples in automatic/MAZE_SIMULATED_ANNEALING.tmp
Found broken examples in automatic/MAZE_STEERED_MD.tmp
Found broken examples in automatic/METATENSOR.tmp
Found broken examples in automatic/MULTICOLVARDENS.tmp
Found broken examples in automatic/OUTPUT_CLUSTER.tmp
Found broken examples in automatic/PAMM.tmp
Found broken examples in automatic/PCA.tmp
Found broken examples in automatic/PCAVARS.tmp
Found broken examples in automatic/PIV.tmp
Found broken examples in automatic/PLUMED.tmp
Found broken examples in automatic/PYCVINTERFACE.tmp
Found broken examples in automatic/PYTHONFUNCTION.tmp
Found broken examples in automatic/Q3.tmp
Found broken examples in automatic/Q4.tmp
Found broken examples in automatic/Q6.tmp
Found broken examples in automatic/QUATERNION.tmp
Found broken examples in automatic/SIZESHAPE_POSITION_LINEAR_PROJ.tmp
Found broken examples in automatic/SIZESHAPE_POSITION_MAHA_DIST.tmp
Found broken examples in automatic/SPRINT.tmp
Found broken examples in automatic/TETRAHEDRALPORE.tmp
Found broken examples in automatic/TORSIONS.tmp
Found broken examples in automatic/WHAM_WEIGHTS.tmp
Found broken examples in AnalysisPP.md
Found broken examples in CollectiveVariablesPP.md
Found broken examples in MiscelaneousPP.md

Please sign in to comment.