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Commits on Oct 21, 2019

• Merge pull request #64 from tovrstra/realase_1_6_0

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• Update release notes

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• Merge pull request #63 from tovrstra/minor_fix

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• Improve conda recipe and Travis config

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• Document missing 1/V in virial tensor.

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• Minor fix

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Commits on Sep 19, 2019

• Merge pull request #62 from stevenvdb/metadynamics

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  Steven Vandenbrande

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• Merge branch 'master' into metadynamics

  

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• Merge branch 'stevenvdb-metadynamics'

  

  Steven Vandenbrande

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• Fix merge conflict

  

  Steven Vandenbrande

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• Merge pull request #61 from stevenvdb/lammps_conversion

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  Steven Vandenbrande

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• Merge branch 'master' into lammps_conversion

  

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• Merge pull request #60 from stevenvdb/ljcrossgenerator

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Commits on Sep 18, 2019

• Allow Gaussian radii in RASPA conversion if they are all zero

  

  Steven Vandenbrande

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  Steven Vandenbrande

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• Merge branch 'ljcrossgenerator'

  

  Steven Vandenbrande

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  Steven Vandenbrande

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• Avoid MC energy calculation for close contacts

  

  Steven Vandenbrande

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  Steven Vandenbrande

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• Disable RASPA conversion with Gaussian electrostatics

  

  Steven Vandenbrande

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  Steven Vandenbrande

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• Temporary fix for the check_example, until it is properly done in molmod

  

  Steven Vandenbrande

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  Steven Vandenbrande

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Commits on Sep 17, 2019

• Merge branch 'ljcrossgenerator' of https://github.com/stevenvdb/yaff into ljcrossgenerator

  

  Steven Vandenbrande

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• Make check_example conform to new molmod release

  

  Steven Vandenbrande

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  Steven Vandenbrande

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• Make check_example conform to new molmod release

  

  Steven Vandenbrande

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  Steven Vandenbrande

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• Fix the LJCrossGenerator

  

  Steven Vandenbrande

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  Steven Vandenbrande

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• Merge branch 'master' into lammps_conversion

  

  Steven Vandenbrande

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• Merge branch 'master' into ljcrossgenerator

  

  Steven Vandenbrande

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• Merge pull request #59 from stevenvdb/mc

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Commits on Sep 10, 2019

• Skip PLUMED related tests on Windows

  

  Steven Vandenbrande

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  Steven Vandenbrande

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• Fix Windows problem with tempfile

  

  Steven Vandenbrande

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• Cleanup

  

  Steven Vandenbrande

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• Run MTD for analysis test online

  

  Steven Vandenbrande

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  Steven Vandenbrande

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• More robust generation of alanine dipeptide force field

  

  Steven Vandenbrande

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  Steven Vandenbrande

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Commits on Sep 9, 2019

• Add tutorial on metadynamics

  

  Steven Vandenbrande

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  Steven Vandenbrande

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• Allow periodic CVs in GaussianHills

  

  Steven Vandenbrande

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  Steven Vandenbrande

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Commits on Sep 6, 2019

• Extract free energy profile from hills

  

  Steven Vandenbrande

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  Steven Vandenbrande

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• Add hook for metadynamics

  

  Steven Vandenbrande

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  Steven Vandenbrande

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• Add BiasPotential consisting of Gaussian hills

  

  Steven Vandenbrande

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  Steven Vandenbrande

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