This bugfix release corrects the density of states (DOS) and density of occupied states (DOOS) sampling during the steady state transport test to correctly calculate the DOS and DOOS distribution data with the correct magnitude so that the integral of the DOS is the total density of states and the integral of the DOOS is the total charge carrier density. For a detailed listing of all changes, see the Changelog. This release was developed under the financial assistance award 70NANB14H012 from U.S. Department of Commerce, National Institute of Standards and Technology as part of the Center for Hierarchical Materials Design (CHiMaD)
(a) Steady state distribution based on non-bonded configuration simulations; (b) Steady state distri...
The Density of States (DOS) is an ingredient of critical importance for the accurate physical unders...
The width and shape of the density of states (DOS) are key parameters to describe the charge transpo...
This update provides a major update to the steady state charge transport test: Corrected the transp...
Major Updates: Added output of mean squared displacement velocity transients during the Dynamics te...
Noteworthy updates in this release: Added the googletest submodule for unit testing Added Coveralls...
Major Updates: Significant overhaul of the dynamics test to produce average species density and ene...
Excimontec v1.0 has left the beta stage and now has a stable feature set and public API. Major updat...
This update fixes a few bugs that were occurring when importing tomogram data. For a detailed accou...
Bug Fix: Fixing initialisation of density matrix for all probability methods What's Changed Fix Dec...
This version is built with KMC_Lattice v2.0-beta.1 and allows the user to perform several simulation...
The release contains bug fixes for the LangevinEstimation class: The attributes drift_model and dif...
Changelog for QCoDeS 0.5.1 This is a bug fix release fixing the following 3 issues. Fix dataclasses...
Please see http://www.birs.ca/workshops/2016/16w5069/Programme16w5069.pdfNon UBCUnreviewedAuthor aff...
Fix bug with when weights= are used with density= (bug in the variance calculation). Bump pybind11 a...
(a) Steady state distribution based on non-bonded configuration simulations; (b) Steady state distri...
The Density of States (DOS) is an ingredient of critical importance for the accurate physical unders...
The width and shape of the density of states (DOS) are key parameters to describe the charge transpo...
This update provides a major update to the steady state charge transport test: Corrected the transp...
Major Updates: Added output of mean squared displacement velocity transients during the Dynamics te...
Noteworthy updates in this release: Added the googletest submodule for unit testing Added Coveralls...
Major Updates: Significant overhaul of the dynamics test to produce average species density and ene...
Excimontec v1.0 has left the beta stage and now has a stable feature set and public API. Major updat...
This update fixes a few bugs that were occurring when importing tomogram data. For a detailed accou...
Bug Fix: Fixing initialisation of density matrix for all probability methods What's Changed Fix Dec...
This version is built with KMC_Lattice v2.0-beta.1 and allows the user to perform several simulation...
The release contains bug fixes for the LangevinEstimation class: The attributes drift_model and dif...
Changelog for QCoDeS 0.5.1 This is a bug fix release fixing the following 3 issues. Fix dataclasses...
Please see http://www.birs.ca/workshops/2016/16w5069/Programme16w5069.pdfNon UBCUnreviewedAuthor aff...
Fix bug with when weights= are used with density= (bug in the variance calculation). Bump pybind11 a...
(a) Steady state distribution based on non-bonded configuration simulations; (b) Steady state distri...
The Density of States (DOS) is an ingredient of critical importance for the accurate physical unders...
The width and shape of the density of states (DOS) are key parameters to describe the charge transpo...