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Adding Transition Tempering to METAD (#233)
* Added on-the-fly tracking of a METAD action's maximum bias. * Added nearest grid neighbor functions to tools/Grid * Added path barrier finding routine for gridded functions in tools/Grid. * Added on the fly tracking of transition bias quantities in METAD. * Added 1D and 2D METAD transition bias calculation regtests. * Added transition tempering to METAD. * Added regtest for transition tempering including TTBIASFACTOR, TTBIASTHRESHOLD, and TTALPHA. * Added regtest for transition tempering including TTBIASFACTOR, TTBIASTHRESHOLD, and TTALPHA. * Update MetaD.cpp removed trailing character, line 398
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- regtest/basic/rt-ttmetad0/COLVAR.reference 24 additions, 0 deletionsregtest/basic/rt-ttmetad0/COLVAR.reference
- regtest/basic/rt-ttmetad0/HILLS-nonperiodic-case1.reference 22 additions, 0 deletionsregtest/basic/rt-ttmetad0/HILLS-nonperiodic-case1.reference
- regtest/basic/rt-ttmetad0/HILLS-nonperiodic-case2.reference 22 additions, 0 deletionsregtest/basic/rt-ttmetad0/HILLS-nonperiodic-case2.reference
- regtest/basic/rt-ttmetad0/HILLS-periodic-case1.reference 24 additions, 0 deletionsregtest/basic/rt-ttmetad0/HILLS-periodic-case1.reference
- regtest/basic/rt-ttmetad0/HILLS-periodic-case2.reference 24 additions, 0 deletionsregtest/basic/rt-ttmetad0/HILLS-periodic-case2.reference
- regtest/basic/rt-ttmetad0/Makefile 1 addition, 0 deletionsregtest/basic/rt-ttmetad0/Makefile
- regtest/basic/rt-ttmetad0/config 3 additions, 0 deletionsregtest/basic/rt-ttmetad0/config
- regtest/basic/rt-ttmetad0/grid-nonperiodic-case1 16 additions, 0 deletionsregtest/basic/rt-ttmetad0/grid-nonperiodic-case1
- regtest/basic/rt-ttmetad0/grid-nonperiodic-case2 16 additions, 0 deletionsregtest/basic/rt-ttmetad0/grid-nonperiodic-case2
- regtest/basic/rt-ttmetad0/grid-periodic-case1 15 additions, 0 deletionsregtest/basic/rt-ttmetad0/grid-periodic-case1
- regtest/basic/rt-ttmetad0/grid-periodic-case2 15 additions, 0 deletionsregtest/basic/rt-ttmetad0/grid-periodic-case2
- regtest/basic/rt-ttmetad0/plumed.dat 79 additions, 0 deletionsregtest/basic/rt-ttmetad0/plumed.dat
- regtest/basic/rt-ttmetad0/traj.gro 525 additions, 0 deletionsregtest/basic/rt-ttmetad0/traj.gro
- regtest/basic/rt-ttmetad1/COLVAR.reference 24 additions, 0 deletionsregtest/basic/rt-ttmetad1/COLVAR.reference
- regtest/basic/rt-ttmetad1/HILLS-case1.reference 24 additions, 0 deletionsregtest/basic/rt-ttmetad1/HILLS-case1.reference
- regtest/basic/rt-ttmetad1/HILLS-case2.reference 24 additions, 0 deletionsregtest/basic/rt-ttmetad1/HILLS-case2.reference
- regtest/basic/rt-ttmetad1/HILLS-case3.reference 24 additions, 0 deletionsregtest/basic/rt-ttmetad1/HILLS-case3.reference
- regtest/basic/rt-ttmetad1/HILLS-case4.reference 24 additions, 0 deletionsregtest/basic/rt-ttmetad1/HILLS-case4.reference
- regtest/basic/rt-ttmetad1/HILLS-case5.reference 24 additions, 0 deletionsregtest/basic/rt-ttmetad1/HILLS-case5.reference
- regtest/basic/rt-ttmetad1/HILLS-case6.reference 24 additions, 0 deletionsregtest/basic/rt-ttmetad1/HILLS-case6.reference
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