diff --git a/doc/data/index.md b/doc/data/index.md index 3e3582abf6..256b263aac 100644 --- a/doc/data/index.md +++ b/doc/data/index.md @@ -2,7 +2,7 @@ In this section, we will introduce how to convert the DFT labeled data into the data format used by DeePMD-kit. -The DeePMD-kit organize data in `systems`. Each `system` is composed by a number of `frames`. One may roughly view a `frame` as a snap short on an MD trajectory, but it does not necessary come from an MD simulation. A `frame` records the coordinates and types of atoms, cell vectors if the periodic boundary condition is assumed, energy, atomic forces and virial. It is noted that the `frames` in one `system` share the same number of atoms with the same type. +The DeePMD-kit organize data in `systems`. Each `system` is composed by a number of `frames`. One may roughly view a `frame` as a snap shot on an MD trajectory, but it does not necessary come from an MD simulation. A `frame` records the coordinates and types of atoms, cell vectors if the periodic boundary condition is assumed, energy, atomic forces and virial. It is noted that the `frames` in one `system` share the same number of atoms with the same type. - [System](system.md) - [Formats of a system](data-conv.md) diff --git a/doc/data/index.rst b/doc/data/index.rst index d5fa62648a..c9af5011af 100644 --- a/doc/data/index.rst +++ b/doc/data/index.rst @@ -2,7 +2,7 @@ Data ==== In this section, we will introduce how to convert the DFT labeled data into the data format used by DeePMD-kit. -The DeePMD-kit organize data in :code:`systems`. Each :code:`system` is composed by a number of :code:`frames`. One may roughly view a :code:`frame` as a snap short on an MD trajectory, but it does not necessary come from an MD simulation. A :code:`frame` records the coordinates and types of atoms, cell vectors if the periodic boundary condition is assumed, energy, atomic forces and virial. It is noted that the :code:`frames` in one :code:`system` share the same number of atoms with the same type. +The DeePMD-kit organize data in :code:`systems`. Each :code:`system` is composed by a number of :code:`frames`. One may roughly view a :code:`frame` as a snap shot on an MD trajectory, but it does not necessary come from an MD simulation. A :code:`frame` records the coordinates and types of atoms, cell vectors if the periodic boundary condition is assumed, energy, atomic forces and virial. It is noted that the :code:`frames` in one :code:`system` share the same number of atoms with the same type. .. toctree:: :maxdepth: 1