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corrected documentation
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ChiCheng45 committed Mar 7, 2025
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20 changes: 7 additions & 13 deletions Doc/pages/analysis.rst
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Expand Up @@ -121,19 +121,13 @@ Box Translated Trajectory

Center Of Masses Trajectory
'''''''''''''''''''''''''''
.. note::

**This job is under development MDANSE and is currently not available.
The documentation here is out-dated and only left here for referencing
purposes.**

The center of mass trajectory (COMT) analysis consists in deriving the
trajectory of the respective centres of mass of a set of groups of
atoms. In order to produce a visualizable trajectory, MDANSE assigns
the centres of mass to pseudo-hydrogen atoms whose mass is equal to the
mass of their associated group. Thus, the produced trajectory can be
reused for other analysis. In that sense, COMT analysis is a practical
way to reduce noticeably the dimensionality of a system.
The center of mass trajectory (COMT) analysis consists in deriving the
trajectory of the respective centres of mass of a set of groups of
atoms. In order to produce a visualizable trajectory, MDANSE assigns
the centres of mass to pseudo-hydrogen atoms whose mass is equal to the
mass of their associated group. Thus, the produced trajectory can be
reused for other analysis. In that sense, COMT analysis is a practical
way to reduce noticeably the dimensionality of a system.

.. _cropped-trajectory:

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24 changes: 15 additions & 9 deletions Doc/pages/scattering.rst
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Expand Up @@ -776,12 +776,18 @@ Naturally, similar expressions apply to the dynamic structure factors,

Structure Factor From Scattering Function
'''''''''''''''''''''''''''''''''''''''''
The structure factor from scattering function is a concept used in
scientific research, particularly in the field of neutron scattering
experiments. It relates to how particles or atoms within a material
contribute to its overall structural properties based on their scattering
behavior. This concept provides valuable insights into the material's
internal structure, dynamics, and interactions. Researchers use the Structure
Factor From Scattering Function to better understand the atomic-level details
of materials, which has applications in diverse areas, including materials
science and condensed matter physics
.. note::

**This job is under development and may change in future versions
of MDANSE. The documentation here is out-dated and only left here
for referencing purposes.**

The structure factor from scattering function is a concept used in
scientific research, particularly in the field of neutron scattering
experiments. It relates to how particles or atoms within a material
contribute to its overall structural properties based on their scattering
behavior. This concept provides valuable insights into the material's
internal structure, dynamics, and interactions. Researchers use the Structure
Factor From Scattering Function to better understand the atomic-level details
of materials, which has applications in diverse areas, including materials
science and condensed matter physics
4 changes: 2 additions & 2 deletions Doc/pages/weights.rst
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Expand Up @@ -154,13 +154,13 @@ Double Atom-Type Properties (Other)

For calculation other than the DCSF and current correlation function (CCF)
a slightly different weight scheme must be used as their partials are
normalized slightly differently. In MDANSE the (weighted) partial static structure
normalized slightly differently. In MDANSE the partial static structure
factor (SSF) is

.. math::
:label: ws14
S_{\alpha\beta}(q) = W_{\alpha\beta} \left[ 1 + \frac{4 \pi \rho}{q} \int\limits_{0}^{\infty} \mathrm{d}r \, \left[ g_{\alpha\beta}(r) - 1\right] r\sin(qr)\right]
S_{\alpha\beta}(q) = 1 + \frac{4 \pi \rho}{q} \int\limits_{0}^{\infty} \mathrm{d}r \, \left[ g_{\alpha\beta}(r) - 1\right] r\sin(qr)
where

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