| /dports/science/plumed/plumed2-2.7.2/src/tools/ |
| H A D | MultiValue.cpp | 55 unsigned base=ival*nderivatives, ndert=hasDerivatives.getNumberActive(); in clear()
60 unsigned ndert=hasDerivatives.getNumberActive(); tmpval=0.; in clearTemporyDerivatives()
69 unsigned base=nderivatives*ival, ndert=hasDerivatives.getNumberActive(); in chainRule()
87 outvals.atLeastOneSet=true; unsigned ndert=hasDerivatives.getNumberActive(); in copyDerivatives()
106 unsigned ndert=hasDerivatives.getNumberActive(); double wpref; in quotientRule()
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| H A D | MultiValue.h | 95 unsigned getNumberActive() const ;
204 unsigned MultiValue::getNumberActive() const { in getNumberActive() function
205 return hasDerivatives.getNumberActive(); in getNumberActive()
210 plumed_dbg_assert( ind<hasDerivatives.getNumberActive() ); in getActiveIndex()
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| H A D | DynamicList.h | 172 unsigned getNumberActive() const;
234 unsigned DynamicList<T>::getNumberActive() const { in getNumberActive() function
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| /dports/science/plumed/plumed2-2.7.2/src/multicolvar/ |
| H A D | MultiColvarFilter.cpp | 65 for(unsigned i=0; i<invals.getNumberActive(); ++i) { in completeTask()
73 for(unsigned i=0; i<outvals.getNumberActive(); ++i) { in completeTask()
81 for(unsigned i=0; i<invals.getNumberActive(); ++i) { in completeTask()
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| H A D | LocalAverage.cpp | 174 for(unsigned j=0; j<myder.getNumberActive(); ++j) { in compute()
191 for(unsigned j=0; j<myder.getNumberActive(); ++j) { in compute()
204 for(unsigned j=0; j<myder.getNumberActive(); ++j) { in compute()
249 for(unsigned j=0; j<myder.getNumberActive(); ++j) { in compute()
271 for(unsigned j=0; j<myder.getNumberActive(); ++j) { in compute()
290 for(unsigned j=0; j<myder.getNumberActive(); ++j) { in compute()
316 for(unsigned j=0; j<myvals.getNumberActive(); ++j) { in compute()
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| H A D | CenterOfMultiColvar.cpp | 162 for(unsigned k=0; k<tvals.getNumberActive(); ++k) { in calculate()
200 for(unsigned i=0; i<myvals.getNumberActive(); ++i) { in calculate()
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| H A D | BridgedMultiColvarFunction.cpp | 71 …for(unsigned j=0; j<invals.getNumberActive(); ++j) outvals.putIndexInActiveArray( invals.getActive… in transformBridgedDerivatives()
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| H A D | MultiColvarBase.cpp | 810 for(unsigned j=0; j<myder.getNumberActive(); ++j) { in mergeInputDerivatives()
841 for(unsigned j=0; j<myder.getNumberActive(); ++j) { in splitInputDerivatives()
994 …for(unsigned j=0; j<myder.getNumberActive(); ++j) { unsigned jder=myder.getActiveIndex(j); outder.… in performTask()
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| /dports/science/plumed/plumed2-2.7.2/src/reference/ |
| H A D | ReferenceValuePack.cpp | 72 for(unsigned i=0; i<myvals.getNumberActive(); ++i) { in scaleAllDerivatives()
80 for(unsigned i=0; i<tvals.getNumberActive(); ++i) { in copyScaledDerivatives()
89 for(unsigned i=0; i<myvals.getNumberActive(); ++i) { in moveDerivatives()
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| /dports/science/plumed/plumed2-2.7.2/src/vesselbase/ |
| H A D | StoreDataVessel.cpp | 77 der_list[jelem]=myvals.getNumberActive(); in storeDerivatives()
79 …for(unsigned j=0; j<myvals.getNumberActive(); ++j) { der_list[kder] = myvals.getActiveIndex(j); kd… in storeDerivatives()
84 for(unsigned j=0; j<myvals.getNumberActive(); ++j) { in storeDerivatives()
96 for(unsigned j=0; j<myvals.getNumberActive(); ++j) { in storeDerivatives()
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| H A D | OrderingVessel.cpp | 63 for(unsigned i=0; i<myvals.getNumberActive(); ++i) { in finish()
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| H A D | Moments.cpp | 172 for(unsigned j=0; j<myvals.getNumberActive(); ++j) { in finish()
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| /dports/science/plumed/plumed2-2.7.2/src/manyrestraints/ |
| H A D | ManyRestraintsBase.cpp | 77 for(unsigned i=0; i<invals.getNumberActive(); ++i) { in transformBridgedDerivatives()
84 …for(unsigned j=0; j<invals.getNumberActive(); ++j) outvals.updateIndex( invals.getActiveIndex(j) ); in transformBridgedDerivatives()
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| /dports/science/plumed/plumed2-2.7.2/src/crystallization/ |
| H A D | VectorMultiColvar.cpp | 81 for(unsigned j=0; j<myvals.getNumberActive(); ++j) { in compute()
98 for(unsigned j=0; j<myvals.getNumberActive(); ++j) { in normalizeVectorDerivatives()
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| H A D | MoleculeOrientation.cpp | 139 for(unsigned j=0; j<myvals.getNumberActive(); ++j) { in normalizeVectorDerivatives()
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| H A D | OrientationSphere.cpp | 120 for(unsigned i=0; i<myvals.getNumberActive(); ++i) { in compute()
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| /dports/science/plumed/plumed2-2.7.2/src/adjmat/ |
| H A D | Sprint.cpp | 190 for(unsigned i=rank; i<active_elements.getNumberActive(); i+=stride) { in calculate()
200 for(unsigned jd=0; jd<myvals.getNumberActive(); ++jd) { in calculate()
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| H A D | ClusterDistribution.cpp | 149 for(unsigned k=0; k<tvals.getNumberActive(); ++k) { in performTask()
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| H A D | ActionWithInputMatrix.cpp | 105 for(unsigned jd=0; jd<myvals.getNumberActive(); ++jd) { in addConnectionDerivatives()
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| H A D | TopologyMatrix.cpp | 234 for(unsigned jd=0; jd<myvals.getNumberActive(); ++jd) { in compute()
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| /dports/science/plumed/plumed2-2.7.2/src/analysis/ |
| H A D | Histogram.cpp | 431 for(unsigned j=0; j<tmpval.getNumberActive(); ++j) { in compute()
454 for(unsigned j=0; j<tmpval.getNumberActive(); ++j) { in compute()
472 for(unsigned j=0; j<tmpval.getNumberActive(); ++j) { in compute()
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| /dports/science/plumed/plumed2-2.7.2/src/gridtools/ |
| H A D | HistogramOnGrid.cpp | 160 for(unsigned k=0; k<myvals.getNumberActive(); ++k) { in calculate()
168 for(unsigned k=0; k<myvals.getNumberActive(); ++k) { in calculate()
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| /dports/science/plumed/plumed2-2.7.2/src/pamm/ |
| H A D | PAMM.cpp | 205 for(unsigned j=0; j<myder.getNumberActive(); ++j) { in calculateWeight()
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