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 | |
|---|---|---|---|
| dsfinterp-0.1.tar.gz | 916.1 kB | 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 |
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SHA-256 checksum How to use checksums |
0f1a47d80a62a917755d3b75eca7d1af10cf8dac2b48cce4ce0c116731fd84ae
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BLAKE2b-256 checksum How to use checksums |
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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
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16859fe618e80087970e6493d443878d0eac18e52e1d19c240202433f3989bf4
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Uploaded using Trusted Publishing? What is trusted publishing? |
No |
