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README.md: fix markdown
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@junghans
junghans committed Oct 24, 2019
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Expand Up @@ -7,12 +7,12 @@ This repository contains some small analysis programs which are written based on

# Programs

* __radii__: calculate gyration radius + hydrodynamic radius of a molecule or a set of molecules
* __sphericalorder__: calculates a spherical order parameter i.e. the distribution of e_r\*u where e_r is the unit vector from a reference molecule to the solvent molecules and u is the principle axis of inertia of the solvent molecule
* __fluctuations__: calculate the number density fluctuations in subvolumes. Subvolumes are either cubic slabs along one of the sim box axis or speherical subvolumes around a solute
* __orientcorr__: calculates the distance dependent orientational correlation function of a polymer melt
* __part_dist__: outputs the time-averaged number of particles, listed by particle types (was a part of csg before)
* __partial_rdf__: calculates the rdf in a spherical subvolume
* __traj_force__: add/subtracts reference forces from a given trajectory and stores in a new trajectory
* __radii__: calculate gyration radius + hydrodynamic radius of a molecule or a set of molecules
* __sphericalorder__: calculates a spherical order parameter i.e. the distribution of e_r\*u where e_r is the unit vector from a reference molecule to the solvent molecules and u is the principle axis of inertia of the solvent molecule
* __fluctuations__: calculate the number density fluctuations in subvolumes. Subvolumes are either cubic slabs along one of the sim box axis or speherical subvolumes around a solute
* __orientcorr__: calculates the distance dependent orientational correlation function of a polymer melt
* __part_dist__: outputs the time-averaged number of particles, listed by particle types (was a part of csg before)
* __partial_rdf__: calculates the rdf in a spherical subvolume
* __traj_force__: add/subtracts reference forces from a given trajectory and stores in a new trajectory

To add your own program just create a new folder and put your *.cc files in there

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