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Fixed issue in new documentation for actions
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Gareth Aneurin Tribello authored and Gareth Aneurin Tribello committed Oct 27, 2024
1 parent fd1665c commit 5ca42b3
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Showing 7 changed files with 8 additions and 6 deletions.
2 changes: 1 addition & 1 deletion src/matrixtools/CovarianceMatrix.cpp
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Expand Up @@ -38,7 +38,7 @@ com: CENTER ATOMS=1-100
d: DISTANCES ATOMS=1-100 ORIGIN=com COMPONENTS
# Now compute the covariance matrix
ones: ONES SIZE=100
covar: COVARIANCE ARG=d.x,d.y,d.z WEIGHTS=ones
covar: COVARIANCE_MATRIX ARG=d.x,d.y,d.z WEIGHTS=ones
```
*/
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1 change: 1 addition & 0 deletions src/matrixtools/Determinent.cpp
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Expand Up @@ -56,6 +56,7 @@ void Determinant::registerKeywords( Keywords& keys ) {
ActionShortcut::registerKeywords(keys);
keys.addInputKeyword("compulsory","ARG","matrix","The matrix that we are calculating the determinant for");
keys.setValueDescription("scalar","the determinant of the matrix");
keys.needsAction("DIAGONALIZE"); keys.needsAction("PRODUCT");
}

Determinant::Determinant( const ActionOptions& ao):
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4 changes: 2 additions & 2 deletions src/matrixtools/DiagonalizeMatrix.cpp
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Expand Up @@ -31,7 +31,7 @@ function from the [LAPACK](https://www.netlib.org/lapack/explore-html/) library
of a real symmetric matrix. For example, the following input can be used to calculate and print all four eigenvalues of the input [DISTANCE_MATRIX](DISTANCE_MATRIX.md).
```plumed
d: DISTANCE_MATRIX ARG=1-4
d: DISTANCE_MATRIX GROUP=1-4
diag: DIAGONALIZE ARG=d
PRINT ARG=diag.vals-1,diag.vals-2,diag.vals-3,diag.vals-4 FILE=colvar
```
Expand All @@ -40,7 +40,7 @@ If you wish to calculate only a subset of the eigenvalues and eigenvectors you w
and its corresponding eigenvector.
```plumed
d: DISTANCE_MATRIX ARG=1-4
d: DISTANCE_MATRIX GROUP=1-4
diag: DIAGONALIZE ARG=d VECTORS=1
PRINT ARG=diag.vals-1,diag.vecs-1 FILE=colvar
```
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2 changes: 1 addition & 1 deletion src/matrixtools/InvertMatrix.cpp
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Expand Up @@ -51,7 +51,7 @@ The following example shows how this action is used in practise:
```plumed
c: DISTANCE_MATRIX ATOMS=1-4
ci: INVERT_MATRIX ARG=c
PRINT ARG=c1 FILE=colvar
PRINT ARG=ci FILE=colvar
```
*/
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2 changes: 1 addition & 1 deletion src/matrixtools/MatrixTimesVector.cpp
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Expand Up @@ -54,7 +54,7 @@ You can also multiply a single matrix by multiple vectors:
c1: CONTACT_MATRIX GROUP=1-7 SWITCH={RATIONAL R_0=2.6 NN=6 MM=12 D_MAX=10.0}
ones: ONES SIZE=7
twos: CONSTANT VALUES=1,2,3,4,5,6,7
cc: MATRIX_VECTOR_PRODUCT=c1,ones,twos
cc: MATRIX_VECTOR_PRODUCT ARG=c1,ones,twos
PRINT ARG=cc.ones,cc.twos FILE=colvar
```
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2 changes: 1 addition & 1 deletion src/matrixtools/OuterProduct.cpp
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Expand Up @@ -54,7 +54,7 @@ consider the following input:
c1: CONTACT_MATRIX GROUP=1-100 SWITCH={GAUSSIAN D_0=5.29 R_0=0.01 D_MAX=5.3}
# Calculate the coordination numbers
ones: ONES SIZE=100
cc: MATRIX_VECTOR PRODUCT ARG=c1,ones
cc: MATRIX_VECTOR_PRODUCT ARG=c1,ones
# Now use MORE_THAN to work out which atoms have a coordination number that is bigger than six
cf: MORE_THAN ARG=cc SWITCH={RATIONAL D_0=5.5 R_0=0.5}
# Now make a matrix in which element i,j is one if atom i and atom j both have a coordination number that is greater than 6
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1 change: 1 addition & 0 deletions src/multicolvar/Torsions.cpp
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Expand Up @@ -79,6 +79,7 @@ PLUMED_REGISTER_ACTION(Torsions,"TORSIONS")
void Torsions::registerKeywords(Keywords& keys) {
ActionShortcut::registerKeywords( keys ); MultiColvarShortcuts::shortcutKeywords( keys );
keys.needsAction("TORSION");
keys.add("atoms","ATOMS","the four atoms involved in the torsional angle");
keys.setValueDescription("vector","the TORSION for each set of three atoms that were specified");
}

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Found broken examples in automatic/ANN.tmp
Found broken examples in automatic/CAVITY.tmp
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Found broken examples in AnalysisPP.md
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Found broken examples in MiscelaneousPP.md

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