Update DOI resolver
https://www.doi.org/doi_handbook/2_Numbering.html#htmlencoding
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@ -6,7 +6,7 @@ All input scripts are part of the supplementary (open access) material
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supporting the publication of Wirnsberger et al. [J. Chem. Phys. 143,
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124104 (2015)] and allow one to reproduce the key results reported in
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that paper. The full article is available for download under
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http://dx.doi.org/10.1063/1.4931597 or http://arxiv.org/pdf/1507.07081
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https://doi.org/10.1063/1.4931597 or http://arxiv.org/pdf/1507.07081
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and the supplementary material is available under
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https://www.repository.cam.ac.uk/handle/1810/250539.
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@ -101,7 +101,7 @@ colvars: Creating proxy instance
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colvars: ----------------------------------------------------------------------
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colvars: Initializing the collective variables module, version 2018-11-16.
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colvars: Please cite Fiorin et al, Mol Phys 2013:
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colvars: http://dx.doi.org/10.1080/00268976.2013.813594
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colvars: https://doi.org/10.1080/00268976.2013.813594
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colvars: in any publication based on this calculation.
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colvars: SMP parallelism is available.
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colvars: Using LAMMPS interface, version 2018-08-29.
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@ -405,7 +405,7 @@ colvars: Creating proxy instance
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colvars: ----------------------------------------------------------------------
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colvars: Initializing the collective variables module, version 2018-11-16.
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colvars: Please cite Fiorin et al, Mol Phys 2013:
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colvars: http://dx.doi.org/10.1080/00268976.2013.813594
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colvars: https://doi.org/10.1080/00268976.2013.813594
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colvars: in any publication based on this calculation.
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colvars: SMP parallelism is available.
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colvars: Using LAMMPS interface, version 2018-08-29.
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@ -101,7 +101,7 @@ colvars: Creating proxy instance
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colvars: ----------------------------------------------------------------------
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colvars: Initializing the collective variables module, version 2018-11-16.
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colvars: Please cite Fiorin et al, Mol Phys 2013:
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colvars: http://dx.doi.org/10.1080/00268976.2013.813594
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colvars: https://doi.org/10.1080/00268976.2013.813594
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colvars: in any publication based on this calculation.
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colvars: SMP parallelism is available.
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colvars: Using LAMMPS interface, version 2018-08-29.
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@ -405,7 +405,7 @@ colvars: Creating proxy instance
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colvars: ----------------------------------------------------------------------
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colvars: Initializing the collective variables module, version 2018-11-16.
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colvars: Please cite Fiorin et al, Mol Phys 2013:
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colvars: http://dx.doi.org/10.1080/00268976.2013.813594
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colvars: https://doi.org/10.1080/00268976.2013.813594
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colvars: in any publication based on this calculation.
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colvars: SMP parallelism is available.
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colvars: Using LAMMPS interface, version 2018-08-29.
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@ -100,7 +100,7 @@ colvars: Creating proxy instance
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colvars: ----------------------------------------------------------------------
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colvars: Initializing the collective variables module, version 2018-11-16.
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colvars: Please cite Fiorin et al, Mol Phys 2013:
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colvars: http://dx.doi.org/10.1080/00268976.2013.813594
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colvars: https://doi.org/10.1080/00268976.2013.813594
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colvars: in any publication based on this calculation.
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colvars: SMP parallelism is available.
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colvars: Using LAMMPS interface, version 2018-08-29.
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@ -100,7 +100,7 @@ colvars: Creating proxy instance
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colvars: ----------------------------------------------------------------------
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colvars: Initializing the collective variables module, version 2018-11-16.
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colvars: Please cite Fiorin et al, Mol Phys 2013:
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colvars: http://dx.doi.org/10.1080/00268976.2013.813594
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colvars: https://doi.org/10.1080/00268976.2013.813594
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colvars: in any publication based on this calculation.
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colvars: SMP parallelism is available.
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colvars: Using LAMMPS interface, version 2018-08-29.
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@ -19,7 +19,7 @@ For future reference we note that the structure factor S(k) is given by the vari
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It is recommended to get familiar with the interface pinning method by reading:
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[Ulf R. Pedersen, JCP 139, 104102 (2013)](http://dx.doi.org/10.1063/1.4818747)
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[Ulf R. Pedersen, JCP 139, 104102 (2013)](https://doi.org/10.1063/1.4818747)
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A detailed bibliography is provided at
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@ -63,8 +63,8 @@ can be used to show this. The present directory contains the input files that we
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the value fluctuates around the anchor point (a) -- showing that this is indeed a coexistence
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state point.
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The reference [JCP 139, 104102 (2013)](http://dx.doi.org/10.1063/1.4818747) gives details on using the method to find coexistence state points,
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and the reference [JCP 142, 044104 (2015)](http://dx.doi.org/10.1063/1.4818747) show how the crystal growth rate can be computed from fluctuations.
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The reference [JCP 139, 104102 (2013)](https://doi.org/10.1063/1.4818747) gives details on using the method to find coexistence state points,
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and the reference [JCP 142, 044104 (2015)](https://doi.org/10.1063/1.4818747) show how the crystal growth rate can be computed from fluctuations.
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That method have been experienced to be most effective in the slightly super-heated regime above the melting temperature.
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## Contact
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@ -2,7 +2,7 @@
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#
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# Description: nonequilibrium thermodynamic integration. Further details in:
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# R. Freitas, M. Asta, and M. de Koning, Computational Materials Science, (2016)
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# http://dx.doi.org/10.1016/j.commatsci.2015.10.050
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# https://doi.org/10.1016/j.commatsci.2015.10.050
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#--------------------------- System setup -------------------------------------#
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