Skip to content

Commit

Permalink
readme edited and rearrangement
Browse files Browse the repository at this point in the history
  • Loading branch information
ankit7540 committed Jun 5, 2021
1 parent 0dd6c4b commit 9f6f787
Show file tree
Hide file tree
Showing 722 changed files with 12 additions and 7 deletions.
10 changes: 10 additions & 0 deletions PythonModule/rotationalRaman_H2_HD_D2/pure_rotation/README.md
Original file line number Diff line number Diff line change
@@ -0,0 +1,10 @@
# Temperature dependent analysis

This analysis has temperature as a fit parameter, which is determined during the analysis.


# Temperature fixed analysis

This analysis has temperature as a fixed parameter, which is provided by the user and doesnot change during the analysis.

<hr>
Original file line number Diff line number Diff line change
@@ -1,8 +1,3 @@
# Temperature dependent analysis for pure rotational Raman intensities

This is for analysis where the user provides initial values for temperature which is a fit coefficient during the fit process.



## Methodology
Observed intensities from selected
4 changes: 2 additions & 2 deletions PythonModule/rovib_H2_HD_D2/README.md
Original file line number Diff line number Diff line change
@@ -1,8 +1,8 @@
## Python module for vibration-rotation intensities

**This module is for:**
- Scheme for **vibration-rotation Raman intensities from H<sub>2</sub>, HD and D<sub>2</sub>.** This is the most detailed part of the repo, and includes functions for computing the true vibration-rotation Raman intensities for a given temperature.

- Scheme for **vibration-rotation Raman intensities from H<sub>2</sub>, HD and D<sub>2</sub>.** This is the most detailed part of the repo, and includes functions for computing the true intensities for a given temperature. If temperature is not needed as a fit variable then computation of spectra at some fixed temperature is also possible.
For the determination of the wavenumber dependent sensitivity, the temperature can be either fixed or obtained by the analysis.

# Usage
User supplied band area data arranged in 1D arrays are required. These should contain the band positions and experimental band intensities. Theoretical intensities will be computed within the iteration if temperature will be included as a fit parameter.
Expand Down
Loading

0 comments on commit 9f6f787

Please sign in to comment.