Data · dataset · 2017
Gaussian Mixture Powell-based fitting program
Listed in Teesside University Research Data Repository
Description
********************************************************************** GAUSSN Copyright (C) 2015 Piero Procacci ********************************************************************** Powell based fit of work distributions with Gaussian mixtures for estimating free energy differences using Jarzynski's theorem. Program is based on the method described in the paper J. Chem. Phys. 142, 154117 (2015); dx.doi.org/10.1063/1.4918558.
See COPYING for terms and conditions of use and distribution of the program. ********************************************************************** src -> source directory with the gaussn1.0 sources. examples -> directory containing input examples and tests. etc --> directory containing the paper J. Chem. Phys. 142, 154117 (2015) in PDF format to compile the program cd into "src" dir and do $ make to run the tests cd into the "examples" dir and do $ make For more info see the README files inside "src" and "examples".
Links
Where it is published
- DOI doi.org/10.17632/hg6xvmb2py.2 ↗
DOI / persistent id · from researchdata tees ac uk
Catalogue records · 1
- OAI-PMH record data.mendeley.com/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Adata… ↗
metadata API · from researchdata tees ac uk
Topics
- From keywords
- Computer Science & AI · Earth & Environmental Science · Engineering · Humanities · Life Sciences · Social Science
Provenance · 1 source records, 11 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Teesside University Research Data Repository | oai:data.mendeley.com/hg6xvmb2py.2 | 11 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:computer-science-ai | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:engineering | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:humanities | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:social-science | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| description | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/description |
| license | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/rights |
| publication_date | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| title | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/title |