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Minor indentation adjustment to fix listing in i-PI section #48

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Oct 29, 2022
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Minor indentation adjustment to fix listing in i-PI section #48

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26 changes: 13 additions & 13 deletions docs/interfaces/ipi/ipi.rst
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Expand Up @@ -13,19 +13,19 @@ Originally designed for path-integral molecular dynamics, i-PI [iPI2]_
is a python based program which can communicate with various
electronic structure and interatomic potential codes, using them to
calculate forces and energies under its control. It now includes a
range of advanced dynamics and structural drivers. These include ::

* Closed and open path integration to calculate quantum nuclear
positions and dynamics
* Molecular dynamics in various ensembles (NVE, NVT, ...)
* Thermodynamic integration, replica exchange and umbrella sampling
to efficiently calculate free energies and sample free energy
landscapes
* Hessian evaluation for vibrational modes, free energy or instanton
dynamics
* Geometry optimisation and transition state search methods (nudged
elastic band, NEB, is temporarily disabled in i-PI 2.0, see
:ref:`sec-interfaces-ase-neb` for an alternative)
range of advanced dynamics and structural drivers. These include:

* Closed and open path integration to calculate quantum nuclear
positions and dynamics
* Molecular dynamics in various ensembles (NVE, NVT, ...)
* Thermodynamic integration, replica exchange and umbrella sampling
to efficiently calculate free energies and sample free energy
landscapes
* Hessian evaluation for vibrational modes, free energy or instanton
dynamics
* Geometry optimisation and transition state search methods (nudged
elastic band, NEB, is temporarily disabled in i-PI 2.0, see
:ref:`sec-interfaces-ase-neb` for an alternative)

See the full `list of i-PI features
<http://ipi-code.org/about/features/>`_ for more details.
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