dsfinterp
Summary
Cubic Spline Interpolationf of Dynamics Structure Factors S(Q,E,f) as a function of a parameter “f”.
Details
Given a discrete series of Dynamics Structure Factors S_i(Q,E) that depends on an extra parameter “f”, S_i(Q,E) = S(Q,E,f_i), construct and object that returns S(Q,E) for any value of f in the range [min({f_i} }, max( {f_i} )].
Parameter “f” can be an environment variable such as Temperature or an “internal” parameter, such as a component of a force-field.
This interpolator is geared towards determination of S(Q,E,f) using a series { S_i(Q,E) } computed from molecular dynamics simulations, although the series could be generated from experiments, too.
If the { S_i(Q,E) } do not have associated errors, as it is the case when computed from simulations, an error will be estimated by a running regression of the S_i(Q,E) versus f. Thus, the object will return S(Q,E) and and associated error(Q,E) any value of f in the allowed range.
1 maintainer
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file dsfinterp-0.1.tar.gz.
File metadata
- Download URL: dsfinterp-0.1.tar.gz
- Upload date:
- Size: 916.1 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
0f1a47d80a62a917755d3b75eca7d1af10cf8dac2b48cce4ce0c116731fd84ae
|
|
| MD5 |
8425aff8a75cc68e559e2c01b19f55a5
|
|
| BLAKE2b-256 |
c9dae8cea29cfcaea12d1dc6d1abf5eab326b9e5c7506194a5c2b45e56669244
|
File details
Details for the file dsfinterp-0.1.linux-x86_64.exe.
File metadata
- Download URL: dsfinterp-0.1.linux-x86_64.exe
- Upload date:
- Size: 79.3 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
167ce470384f1ee9de29e284dec668a61b0ac53175f1efb323f807baa2e7e108
|
|
| MD5 |
3637e10b88aca52de9e26f6bdc03aed0
|
|
| BLAKE2b-256 |
16859fe618e80087970e6493d443878d0eac18e52e1d19c240202433f3989bf4
|
