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
Metadata
1 maintainer
Release files for dsfinterp 0.1
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | |
|---|---|---|---|---|
| dsfinterp-0.1.tar.gz | 916.1 kB | Without provenance | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| dsfinterp-0.1.linux-x86_64.exe | Details |
Total release size: 995.3 kB
Release files / dsfinterp-0.1.tar.gz
| Download URL | dsfinterp-0.1.tar.gz |
|---|---|
| Size | 916.1 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
0f1a47d80a62a917755d3b75eca7d1af10cf8dac2b48cce4ce0c116731fd84ae
|
|
BLAKE2b-256 checksum How to use checksums |
c9dae8cea29cfcaea12d1dc6d1abf5eab326b9e5c7506194a5c2b45e56669244
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
Release files / dsfinterp-0.1.linux-x86_64.exe
| Download URL | dsfinterp-0.1.linux-x86_64.exe |
|---|---|
| Size | 79.3 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
167ce470384f1ee9de29e284dec668a61b0ac53175f1efb323f807baa2e7e108
|
|
BLAKE2b-256 checksum How to use checksums |
16859fe618e80087970e6493d443878d0eac18e52e1d19c240202433f3989bf4
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
Security for dsfinterp 0.1
Provenance
Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.
No provenance found
None of the files in this release were uploaded with provenance metadata.
A note on package security
PyPI is a repository for distributing packages, not a service for auditing them. While third-party security researchers and our staff do their best to detect and remove malicious packages, PyPI cannot guarantee the quality, security or suitability of any given package.
To learn more about protecting yourself from malicious actors, visit our package security documentation.
