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  11. Feb 25, 2021
    • Michele Invernizzi's avatar
      OPES_METAD cleanup (#672) · 309e19f9
      Michele Invernizzi authored
      * using plumed_massert
      
      * added SIGMA_MIN
      
      * regtest for NLIST and SIGMA_MIN
      
      * check that all walkers read the same file when restarting
      
      * various cleanup
      
      * adjusting inline
      
      * dump state after adding kernel
      
      * added error for too small STATE_WSTRIDE
      
      * better log for adaptive SIGMA
      
      * minor
      
      * check and avoid extremely small adaptive sigmas
      
      * wrong logic
      
      * rescaling height also for adaptive sigma and better handling of extremely small adaptive sigma
      
      * allow for conversion from kernels to state
      
      * added OPES_METAD tutorial
      
      * small fixes
      
      * better metad reweighting disclaimer
      
      * adjust kbt and some other minor things
      
      * typo
      
      * cleanup
      309e19f9
    • Massimiliano Bonomi's avatar
      little comment · 5b1dd51d
      Massimiliano Bonomi authored
      5b1dd51d
    • Giovanni Bussi's avatar
      66363a3f
  12. Feb 24, 2021
  13. Feb 23, 2021