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Searched refs:setReferenceCenter (Results 1 – 2 of 2) sorted by relevance

/dports/science/plumed/plumed2-2.7.2/src/tools/
H A DRMSD.cpp633 else {cd.setReferenceCenter(reference_center);} in optimalAlignment()
663 else {cd.setReferenceCenter(reference_center);} in optimalAlignment_DDistDRef()
694 else {cd.setReferenceCenter(reference_center);} in optimalAlignment_SOMA()
728 else {cd.setReferenceCenter(reference_center);} in optimalAlignment_DDistDRef_Rot_DRotDPos()
766 else {cd.setReferenceCenter(reference_center);} in optimalAlignment_DDistDRef_Rot_DRotDPos_DRotDRef()
801 else {cd.setReferenceCenter(reference_center);} in optimalAlignment_Rot_DRotDRr01()
832 else {cd.setReferenceCenter(reference_center);} in optimalAlignment_Rot()
865 else {cd.setReferenceCenter(reference_center);} in optimalAlignmentWithCloseStructure()
899 else {cd.setReferenceCenter(reference_center);} in optimalAlignment_PCA()
941 else {cd.setReferenceCenter(reference_center);} in optimalAlignment_Fit()
H A DRMSD.h325 …void setReferenceCenter(Vector v) {plumed_massert(!creference_is_calculated,"You are setting the c… in setReferenceCenter() function