v1.0.9

Mocassin v1.0.9

Misc

• Added new documentation for MMCFE routine

Bugfixes Simulator + Model Builder

• Fixed several issues related to cluster interactions that use the maximum number (8) of surrounding positions

v1.0.8

Mocassin 1.0.8

Update: v1.0.8-r1

• Added a model builder and nuget packages that fix an error in the abstract transition validation system for vehicle mechanisms

Features: model builder

• The 3D model viewer now supports a new symmetry extension mode for proper clipping to the unit cell boundaries
• The "NoSaving" flag for simulation builds now causes the simulator to skip the creation of intermediate save points (.mcs files) and instead leads to the creation of a single state file when the simulation is completed

Bugfixes: simulator

• Fixed a bug that caused unnecessary update link creation for cluster interactions that could cause a serve increase in memory consumption in certain scenarios
• Fixed dynamic memory allocation of zero-sized buffers that are accessed by span structures to no longer allocate any memory

v1.0.7

Mocassin v1.0.7

Update

• Added a revision that contains a solver build with new functionality for the "NoSaving" flag. Jobs flagged with "NoSaving" now yield a single simulation state at the end of the simulation instead of completely bypassing the save procedure.

Bugfixes model builder

• A few minor additional fixes for the radial sampling principle

Features model builder

• The DX10+ 3D viewer now supports instanced rendering for models and uses it as the default rendering mode

Features API

• Restoring Mocassin projects from XML now automatically restores the internal references between model DTOs which were previously preserved only if JSON serialization was used

v1.0.6

Mocassin 1.0.6

UPDATE!

• Added a hotfix for nuget packages and GUI that fixes incorrect handling of radial sampling for unit cells with non-right angles

Feature updates

• Added further API documentation to the HTML guide pages including several code examples

• Added a reference only nuget package Mocassin to be used for dotnet projects

• Added a Mocassin.csx nuget script package to make Mocassin compatible with dotnet-script

• Referencing the Mocassin API in F# script .fsx for dotnet fsi is now fully supported out of the box if the packages are configured as a local package source using the #r directives

• Referencing the Mocassin API in C# script .csx for dotnet script is now fully supported out of the box if the packages are configured as a local package source using the #r and #load directives

Model Builder Features

• The space group database default path an now be overwritten globally through the SpaceGroupContextSource
• There are now convenience functions to read the jump histograms from the C# API

Misc

• Updated several third-party packages to newer versions
• Several minor bugfixes for solver and model builder code have been implemented

v1.0.5

Mocassin v1.0.5

Update 2021-02-23

• Added a preview of nuget packages that support out-of-the-box loading into an F# script file ".fsx" for dotnet fsi using #r "nuget: Mocassin"
• Added a preview of nuget packages that support almost out-of-the-box loading into a C# script file ".csx" for dotnet script using #r "nuget: Mocassin", #r "nuget: Mocassin.Csx", #load "nuget: Mocassin.Csx", and a manual Mocassin.Symmetry.db path definition

Bugfixes: Model Builder

• Fixed a crash bug that occurred when attempting to migrate a parameterization template for a currently invalid model
• Fixed an issue that caused incorrect linking of KMC mappings leading to an error during simulation deploy

Bugfixes: Solver

• Fixed an issue that caused the statistics data about immobile species to be dumped at each printout stage instead of only printing the mobile species in certain situations

v1.0.4

Mocassin v1.0.4

Bugfixes: Model Builder

• Fixed an issue that caused cell sites with negative coordinate definitions for x,y,z to be incorrectly trimmed into the unit cell range [0...1)
• Fixed an issue that caused the cell frames in the 3D viewer to not be displayed as intended when only fractions of cells are to be displayed

Features: Solver

• Added the "conductivity diffusion coefficient" as defined by the Nernst-Einstein relation to the default output parameters of the simulator to make calculation of the Haven ratio quickly accessible

v1.0.3

Mocassin 1.0.3

Update:

• Added a hotfix for the simulator that fixes the incorrectly generated cluster links for the dynamic environment updating after the lattice state is advanced by one step

Features: General

• Added several new HTML documentation pages

Features: Model builder

• Added a static helper class to the API that allows to conveniently restore the model project, model context, and lattice size from "msl" simulation package contents
• Added a class to the API that allows to inject 5D energy backgrounds (A,B,C,P,Particle) into build simulation databases to model e.g. grain boundaries

Bugfixes: Model builder

• Fixed an issue that caused the transition rule generator to produce incorrect sets of inverse rules in certain scenarios

v1.0.2

Features: Model Builder

• Replaced the old transition rule generator to better support intersticialcy type transitions
• The 'association/dissociation' flag on vehicle type transitions is now deprecated, the new system always creates unidirectional rules. The actual behavior selection between these two cases is now solely defined by the chosen geometric binding

Bugfixes: Simulator

• Fixed an issue that caused mobile trackers to contain the wrong results for intersticialcy type transition
• Fixed an issue potentially causing jump logging to ignore the second particle of a jump path for 5-Site vehicle type transitions

v1.0.1

Bugfixes: simulator

• Fixed a zero division crash bug in the MMCFE extension routine that occurred when the simulation completed the first block in less than a second
• Added missing finisher tag and output to the stdout of the MMCFE routine

Bugfixes: model builder

• Deep copies of projects now correctly set the parent affiliation for all sub components without a reload of the project file
• Fixed incorrect handling of space groups with multiple "Origin Choice" options that prevented selection of these groups and caused several entries from the space group database to not be visible in the UI

Features

• Several new html documentation pages have been added
• Several convenience functionalities added to the python startup scripts, e.g. the argument provider for the SLURM system now filters already completed jobs

v1.0.0

Update

Added a hotfix installer "1.1.7608.27789" that correctly loads an handles symmetry database entries with multiple origin choices.

Info

First public standalone version, includes:

• Windows Installer "msi" for GUI and simulator
• .NET Standard Nuget packages
• Linux simulator build for CentOS 7+
• HTML documentation pages

Features

• Added an append/create choice for local simulation database deploy. The append mode is intended to extend job collections with additional job configurations if required
• Added first version of the new HTML documentation pages (work in progress)
• The Nuget packages now contain the symmetry database and automatically deploy it on project building. To fully include the API in a project, only "Mocassin.Tools.Evaluation" has the be added as a package reference

Bugfixes

• Fixed an API crash bug that was caused by the wrong ISimulation beeing looked up for a job collection if the opened "msl" contained job collections created from multiple simulation model objects
• Fixed a bug that caused the simulator to perform a KMC prerun for at least 1% of the MCSP of the main run, independent of the set prerun MCSP
• The Windows installer "msi" now correctly uninstalls the previous product version on updating