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Searched refs:plumed_dbg_assert (Results 1 – 25 of 74) sorted by relevance

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/dports/science/plumed/plumed2-2.7.2/src/tools/
H A DMultiValue.h120 plumed_dbg_assert( ival<=values.size() ); in get()
126 plumed_dbg_assert( ival<=values.size() ); in setValue()
132 plumed_dbg_assert( ival<=values.size() ); in addValue()
138 plumed_dbg_assert( ival<=values.size() && jder<nderivatives ); atLeastOneSet=true; in addDerivative()
149 plumed_dbg_assert( jder<nderivatives ); atLeastOneSet=true; in addTemporyDerivative()
156 plumed_dbg_assert( ival<=values.size() && jder<nderivatives ); atLeastOneSet=true; in setDerivative()
163 plumed_dbg_assert( jder<nderivatives && hasDerivatives.isActive(jder) ); in getDerivative()
169 plumed_dbg_assert( jder<nderivatives && hasDerivatives.isActive(jder) ); in getTemporyDerivative()
210 plumed_dbg_assert( ind<hasDerivatives.getNumberActive() ); in getActiveIndex()
H A DDynamicList.h159 plumed_dbg_assert( i<nactive );
164 plumed_dbg_assert( i<all.size() ); in operator()
245 plumed_dbg_assert( all.size()==0 ); onoff.resize( myind.size(), 0 ); in createIndexListFromVector()
266 plumed_dbg_assert( allWereActivated ); in deactivate()
287 plumed_dbg_assert( !allWereActivated ); in activate()
309 plumed_dbg_assert( allWereActivated || allWereDeactivated ); in updateActiveMembers()
319 plumed_dbg_assert( allWereActivated || allWereDeactivated ); in emptyActiveMembers()
325 plumed_dbg_assert( allWereActivated || allWereDeactivated ); in putIndexInActiveArray()
326 plumed_dbg_assert( onoff[ii]>0 && onoff[ii]%nprocessors==0 ); in putIndexInActiveArray()
332 plumed_dbg_assert( allWereActivated || allWereDeactivated ); in completeUpdate()
[all …]
H A DGrid.cpp164 plumed_dbg_assert(indices.size()==dimension_); in getIndex()
180 plumed_dbg_assert(x.size()==dimension_); in getIndex()
213 plumed_dbg_assert(x.size()==dimension_); in getIndices()
222 plumed_dbg_assert(x.size()==dimension_); in getIndices()
230 plumed_dbg_assert(indices.size()==dimension_); in getPoint()
239 plumed_dbg_assert(index<maxsize_); in getPoint()
244 plumed_dbg_assert(x.size()==dimension_); in getPoint()
249 plumed_dbg_assert(index<maxsize_); in getPoint()
255 plumed_dbg_assert(point.size()==dimension_); in getPoint()
262 plumed_dbg_assert(x.size()==dimension_); in getPoint()
[all …]
H A DMultiValue.cpp68 plumed_dbg_assert( off<stride ); in chainRule()
78 plumed_dbg_assert( values.size()<=outvals.getNumberOfValues() ); in copyValues()
84 …plumed_dbg_assert( values.size()<=outvals.getNumberOfValues() && nderivatives<=outvals.getNumberOf… in copyDerivatives()
103 plumed_dbg_assert( nder<values.size() && oder<values.size() ); in quotientRule()
H A DException.h325 #define plumed_dbg_assert(test) plumed_assert(true) macro
332 #define plumed_dbg_assert(test) if(!(test)) throw PLMD::ExceptionDebug() << plumed_here << PLMD::Ex… macro
336 #define plumed_dbg_massert(test,msg) plumed_dbg_assert(test) << msg
H A DHistogramBead.cpp178 plumed_dbg_assert(init && periodicity!=unset ); in calculate()
206 plumed_dbg_assert(init && periodicity!=unset ); in calculateWithCutoff()
250 plumed_dbg_assert(init && periodicity!=unset ); in uboundDerivative()
/dports/science/plumed/plumed2-2.7.2/src/reference/
H A DReferenceValuePack.h127 plumed_dbg_assert( iatom<atom_indices.size() ); atom_indices[iatom]=jindex; in setAtomIndex()
132 plumed_dbg_assert( iatom<atom_indices.size() ); in getAtomIndex()
138 plumed_dbg_assert( iarg<numberOfArgs && oind_set ); myvals.addDerivative( oind, iarg, der ); in addArgumentDerivatives()
143 plumed_dbg_assert( iarg<numberOfArgs && oind_set ); myvals.setDerivative( oind, iarg, der ); in setArgumentDerivatives()
153 plumed_dbg_assert( oind_set && jder<atom_indices.size() ); in setAtomDerivatives()
161 plumed_dbg_assert( oind_set && jder<atom_indices.size() ); in addAtomDerivatives()
169 plumed_dbg_assert( oind_set && atom_indices.size()>0 ); in addBoxDerivatives()
186 Vector tmp; plumed_dbg_assert( oind_set && iatom<atom_indices.size() ); in getAtomDerivative()
195 plumed_dbg_assert( oind_set && ival<numberOfArgs ); in getArgumentDerivative()
201 …plumed_dbg_assert( oind_set && boxWasSet ); Tensor tvir; unsigned nbase = myvals.getNumberOfDeriva… in getBoxDerivatives()
H A DReferenceAtoms.h128 plumed_dbg_assert( atom_der_index.size()==reference_atoms.size() ); in getNumberOfReferencePositions()
139 plumed_dbg_assert( iatom<atom_der_index.size() ); in getAtomIndex()
140 plumed_dbg_assert( atom_der_index[iatom]<reference_atoms.size() ); in getAtomIndex()
146 plumed_dbg_assert( iatom<reference_atoms.size() ); in getReferencePosition()
H A DReferenceArguments.cpp91 plumed_dbg_assert( reference_args.size()==arg_vals.size() ); in moveReferenceArguments()
131 plumed_dbg_assert( fabs( metric(i,j)-metric(j,i) ) < epsilon ); in getReferenceMetric()
200 plumed_dbg_assert( displace.size()==getNumberOfReferenceArguments() ); in displaceReferenceArguments()
/dports/science/plumed/plumed2-2.7.2/src/vesselbase/
H A DAveragingVessel.h70 plumed_dbg_assert( myelem<1+data.size() ); in setDataElement()
76 plumed_dbg_assert( myelem<1+data.size() ); in addDataElement()
82 plumed_dbg_assert( myelem<data.size()-1 ); in getDataElement()
89 plumed_dbg_assert( data.size()>0 ); in setNorm()
95 plumed_dbg_assert( data.size()>0 ); in getNorm()
H A DStoreDataVessel.cpp58 plumed_dbg_assert( vecsize>0 ); in resize()
64 plumed_dbg_assert( vecsize>0 ); in storeValues()
65 …unsigned jelem = getAction()->getPositionInCurrentTaskList( myelem ); plumed_dbg_assert( jelem<get… in storeValues()
73 …plumed_dbg_assert( vecsize>0 && getAction()->derivativesAreRequired() && myelem<getAction()->getFu… in storeDerivatives()
104 plumed_dbg_assert( values.size()==vecsize ); in retrieveSequentialValue()
111 plumed_dbg_assert( values.size()==vecsize ); in retrieveValueWithIndex()
117 plumed_dbg_assert( vecsize>0 ); in retrieveWeightWithIndex()
122 …plumed_dbg_assert( myvals.getNumberOfValues()==vecsize && myvals.getNumberOfDerivatives()==getActi… in retrieveDerivatives()
175 plumed_dbg_assert( ind<my_tmp_vals.size() ); return my_tmp_vals[ind]; in getTemporyMultiValue()
H A DActionWithVessel.h222 plumed_dbg_assert( i<functions.size() ); in getPntrToVessel()
233 plumed_dbg_assert( ii<fullTaskList.size() ); in getTaskCode()
244 plumed_dbg_assert( ii<nactive_tasks ); in getActiveTask()
250 plumed_dbg_assert( ii<nactive_tasks ); in getPositionInFullTaskList()
H A DStoreDataVessel.h155 plumed_dbg_assert( jatom<getNumberOfStoredValues() ); in storedValueIsActive()
202 plumed_dbg_assert( idata<userActions.size() ); return userActions[idata]; in getDataUser()
/dports/science/plumed/plumed2-2.7.2/src/gridtools/
H A DGridVessel.cpp226 plumed_dbg_assert( gtype==fibonacci ); in getFibonacciIndex()
290 plumed_dbg_assert( gtype==fibonacci ); in getFibonacciCoordinates()
360 plumed_dbg_assert( gtype==flat ); return str_min; in getMin()
364 plumed_dbg_assert( gtype==flat ); return str_max; in getMax()
368 plumed_dbg_assert( gtype==flat && bounds_set ); in getNbin()
379 plumed_dbg_assert( bounds_set ); in getNeighbors()
382 plumed_dbg_assert( nneigh.size()==dimension ); in getNeighbors()
428 plumed_dbg_assert( gtype==flat ); cube_units=units; in setCubeUnits()
432 plumed_dbg_assert( gtype==flat ); return cube_units; in getCubeUnits()
500 plumed_dbg_assert( to_activate.size()==npoints ); in activateThesePoints()
[all …]
H A DGridVessel.h231 plumed_dbg_assert( gtype==flat ); in isPeriodic()
248 plumed_dbg_assert( gtype==flat ); in getGridExtent()
259 plumed_dbg_assert( ip<npoints ); in inactive()
265 plumed_dbg_assert( gtype==flat ); in getStride()
H A DHistogramOnGrid.cpp110 plumed_dbg_assert( myvals.getNumberOfValues()==2 && !wasforced ); in calculate()
115 plumed_dbg_assert( myvals.getNumberOfValues()==dimension+2 ); in calculate()
124 plumed_dbg_assert( num_neigh==1 ); der.resize(0); in calculate()
/dports/science/plumed/plumed2-2.7.2/src/multicolvar/
H A DAtomValuePack.h119 plumed_dbg_assert( j<natoms ); indices[j]=ind; in setIndex()
124 plumed_dbg_assert( j<natoms ); indices[j]=ind; in setAtomIndex()
134 plumed_dbg_assert( j<natoms ); return indices[j]; in getIndex()
139 plumed_dbg_assert( j<natoms ); unsigned jatom=indices[j]; in getAbsoluteIndex()
149 plumed_dbg_assert( iatom<natoms ); in getPosition()
175 plumed_dbg_assert( jder<natoms ); in addAtomsDerivatives()
183 plumed_dbg_assert( jder<natoms ); in addTemporyAtomsDerivatives()
H A DCatomPack.h48 plumed_dbg_assert( jind<indices.size() ); in setIndex()
54 plumed_dbg_assert( jind<indices.size() ); in setDerivative()
65 plumed_dbg_assert( jind<indices.size() ); in getIndex()
71 plumed_dbg_assert( iatom<indices.size() ); in getDerivative()
H A DLocalAverage.cpp165 …unsigned katom = myatoms.getIndex( 0 ); plumed_dbg_assert( katom<atom_lab.size() ); plumed_dbg_ass… in compute()
167 …unsigned mmc=atom_lab[katom].first - 1; plumed_dbg_assert( mybasemulticolvars[mmc]->taskIsCurrentl… in compute()
170 … plumed_dbg_assert( basen%3==0 ); // Check the number of atoms is consistent with input derivatives in compute()
240 …unsigned katom = myatoms.getIndex( i ); plumed_dbg_assert( katom<atom_lab.size() ); plumed_dbg_ass… in compute()
242 …unsigned mmc=atom_lab[katom].first - 1; plumed_dbg_assert( mybasemulticolvars[mmc]->taskIsCurrentl… in compute()
245 … plumed_dbg_assert( basen%3==0 ); // Check the number of atoms is consistent with input derivatives in compute()
H A DMultiColvarBase.cpp487 plumed_dbg_assert( nat>0 ); ncentral=nat; in setAtomsForCentralAtom()
643 plumed_dbg_assert( !usespecies && nblock>0 ); in decodeIndexToAtoms()
799 plumed_dbg_assert( ival<myatoms.getUnderlyingMultiValue().getNumberOfValues() ); in mergeInputDerivatives()
800 plumed_dbg_assert( start<myder.getNumberOfValues() && end<=myder.getNumberOfValues() ); in mergeInputDerivatives()
803 …unsigned katom = myatoms.getIndex( jatom ); plumed_dbg_assert( katom<atom_lab.size() ); plumed_dbg… in mergeInputDerivatives()
830 plumed_dbg_assert( ival<myder.getNumberOfValues() ); in splitInputDerivatives()
831 plumed_dbg_assert( start<myvals.getNumberOfValues() && end<=myvals.getNumberOfValues() ); in splitInputDerivatives()
834 …unsigned katom = myatoms.getIndex( jatom ); plumed_dbg_assert( katom<atom_lab.size() ); plumed_dbg… in splitInputDerivatives()
860 unsigned katom = myatoms.getIndex( iatom ); plumed_dbg_assert( atom_lab[katom].first>0 ); in addComDerivatives()
875 unsigned katom = myatoms.getIndex(ind); plumed_dbg_assert( atom_lab[katom].first>0 ); in getInputData()
[all …]
H A DMultiColvarBase.h225 plumed_dbg_assert( iatom<atom_lab.size() ); in getAbsoluteIndexOfCentralAtom()
230 plumed_dbg_assert( usespecies ); in getAbsoluteIndexOfCentralAtom()
236 plumed_dbg_assert( iatom<atom_lab.size() ); in getPositionOfAtomForLinkCells()
267 plumed_dbg_assert( icolv<mybasemulticolvars.size() ); in getBaseMultiColvar()
/dports/science/plumed/plumed2-2.7.2/src/adjmat/
H A DAdjacencyMatrixVessel.cpp69 plumed_dbg_assert( ielem!=jelem ); in getStoreIndexFromMatrixIndices()
103 plumed_dbg_assert( undirectedGraph() ); in retrieveAdjacencyLists()
125 plumed_dbg_assert( undirectedGraph() ); nedge=0; in retrieveEdgeList()
H A DActionWithInputMatrix.cpp140 plumed_dbg_assert( igrp<(mymatrix->function)->mybasemulticolvars.size() ); in getNumberOfAtomsInGroup()
145 plumed_dbg_assert( igrp<(mymatrix->function)->mybasemulticolvars.size() ); in getBaseMultiColvar()
/dports/science/plumed/plumed2-2.7.2/src/analysis/
H A DLandmarkSelectionBase.cpp56 plumed_dbg_assert( nlandmarks==getNumberOfDataPoints() ); in performAnalysis()
69 …plumed_dbg_assert( myindices.size()==lweights.size() && assignments.size()==my_input_data->getNumb… in voronoiAnalysis()
/dports/science/plumed/plumed2-2.7.2/src/ves/
H A DCoeffsVector.cpp178 plumed_dbg_assert(index<data.size()); in operator []()
184 plumed_dbg_assert(index<data.size()); in operator []()
200 plumed_dbg_assert(index<data.size()); in operator ()()
206 plumed_dbg_assert(index<data.size()); in operator ()()
222 plumed_dbg_assert(index<data.size()); in setValue()
233 plumed_dbg_assert(index<data.size()); in addToValue()

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