diff --git a/Doc/pages/analysis.rst b/Doc/pages/analysis.rst index 15e61d8bd..98bf553fc 100644 --- a/Doc/pages/analysis.rst +++ b/Doc/pages/analysis.rst @@ -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: diff --git a/Doc/pages/scattering.rst b/Doc/pages/scattering.rst index df1d4765d..6bc81f6bc 100644 --- a/Doc/pages/scattering.rst +++ b/Doc/pages/scattering.rst @@ -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 diff --git a/Doc/pages/weights.rst b/Doc/pages/weights.rst index 51d337739..d9b245ed7 100644 --- a/Doc/pages/weights.rst +++ b/Doc/pages/weights.rst @@ -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