-
- Downloads
There was an error fetching the commit references. Please try again later.
Coordination Number R_POWER flag (#230)
* Added R_POWER option to multicolvar/CoordinationNumber This is to allow the coordination number moments from White and Voth 2014 JCTC and subsequent papers. They are used as a scalar proxy for biasing radial distribution. Regtest and CHANGES line have been added as well as the function/documentation.
Showing
- CHANGES/v2.4.txt 1 addition, 0 deletionsCHANGES/v2.4.txt
- regtest/multicolvar/rt-coordination-powers-multi/Makefile 1 addition, 0 deletionsregtest/multicolvar/rt-coordination-powers-multi/Makefile
- regtest/multicolvar/rt-coordination-powers-multi/cn_out.reference 6 additions, 0 deletions...multicolvar/rt-coordination-powers-multi/cn_out.reference
- regtest/multicolvar/rt-coordination-powers-multi/config 4 additions, 0 deletionsregtest/multicolvar/rt-coordination-powers-multi/config
- regtest/multicolvar/rt-coordination-powers-multi/plumed.dat 5 additions, 0 deletionsregtest/multicolvar/rt-coordination-powers-multi/plumed.dat
- regtest/multicolvar/rt-coordination-powers/Makefile 1 addition, 0 deletionsregtest/multicolvar/rt-coordination-powers/Makefile
- regtest/multicolvar/rt-coordination-powers/config 4 additions, 0 deletionsregtest/multicolvar/rt-coordination-powers/config
- regtest/multicolvar/rt-coordination-powers/derivatives.reference 196 additions, 0 deletions.../multicolvar/rt-coordination-powers/derivatives.reference
- regtest/multicolvar/rt-coordination-powers/plumed.dat 3 additions, 0 deletionsregtest/multicolvar/rt-coordination-powers/plumed.dat
- src/multicolvar/CoordinationNumbers.cpp 53 additions, 11 deletionssrc/multicolvar/CoordinationNumbers.cpp
Loading
Please register or sign in to comment