disorderedmaterials dissolve issues

disorderedmaterials / dissolve

Structure refinement software for total scattering data

GNU General Public License v3.0

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issues

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CMake preset configuration step fails - can't find benchmark pkg

#1957 RobBuchananCompPhys opened 3 hours ago
1
feat: TR module added

#1956 Danbr4d opened 1 week ago
0
Geometric selection node

#1955 trisyoungs opened 1 week ago
0
Ability to assign fractional masses to SpeciesAtoms

#1954 trisyoungs opened 1 week ago
0
feat: Phantom atoms

#1953 trisyoungs opened 1 week ago
0
[Epic] Phantom Atoms

#1952 trisyoungs opened 1 week ago
0
build: Fix benchmark data upload and nix integration

#1951 trisyoungs opened 1 week ago
0
Adding in total correlation function T(r)

#1950 Danbr4d opened 1 week ago
0
feat: voxel density module

#1949 RobBuchananCompPhys opened 1 week ago
0
Make Species and Configuration classes immutable

#1948 trisyoungs opened 1 week ago
1
refactor: Update docs to reflect Generators rather than Procedures

#1947 trisyoungs opened 1 week ago
0
refactor: Procedures are now just Generators

#1946 trisyoungs opened 1 week ago
0
ProcedureContext is now basically redundant

#1945 trisyoungs opened 1 week ago
0
refactor: Tidy up benchmarks (#1927)

#1944 trisyoungs closed 1 week ago
0
fix: Debug mode assertions error due to const atom not pointer

#1943 RobBuchananCompPhys closed 1 week ago
0
fix: Graph rename bug fix

#1942 Danbr4d opened 1 week ago
4
fix: Rename modules bug

#1941 Danbr4d closed 1 week ago
0
build: Get OSX Antlr4 Java from official website

#1940 trisyoungs closed 2 weeks ago
0
build: Fix mac antlr installation

#1939 rhinoella closed 2 weeks ago
0
fix: AtomType Indexing

#1938 trisyoungs closed 1 week ago
0
perf: Combinable histograms for angle module parallel execution

#1937 RobBuchananCompPhys opened 3 weeks ago
1
combinable histograms

#1936 RobBuchananCompPhys closed 3 weeks ago
0
fix: Don't run analysis modules if configuration contents haven't changed

#1935 trisyoungs closed 2 weeks ago
1
refactor: Rename procedure node icons

#1934 trisyoungs opened 4 weeks ago
0
refactor: Remove contexts from procedure

#1933 trisyoungs opened 4 weeks ago
0
build: Recognise breaking change symbol appended to commit type

#1932 trisyoungs opened 4 weeks ago
0
refactor: Remove custom analysis nodes

#1931 trisyoungs closed 2 weeks ago
1
refactor: Function1D definitions

#1930 trisyoungs closed 2 weeks ago
0
Prune allowed InteractionPotentials by type

#1929 trisyoungs opened 1 month ago
1
refactor: External potentials now use Function1D

#1928 trisyoungs closed 4 weeks ago
0
Tidy Benchmarks

#1927 trisyoungs closed 1 week ago
0
fix: Inversion of custom regions

#1926 trisyoungs closed 2 weeks ago
0
Inverting a CustomRegion has no effect

#1925 trisyoungs closed 2 weeks ago
0
fix: Copy atom type charge

#1924 trisyoungs closed 1 month ago
0
fix: Copy global potentials from source configuration

#1923 trisyoungs closed 1 month ago
0
CopyProcedureNode doesn't copy global potentials

#1922 trisyoungs closed 1 month ago
0
feat: Create empty configuration

#1921 trisyoungs closed 1 month ago
0
Can't add an empty Configuration

#1920 trisyoungs closed 1 month ago
0
Array node

#1919 trisyoungs opened 1 month ago
0
fix: Remove redundant assertions

#1918 trisyoungs closed 1 month ago
1
DRAFT Custom model interface

#1917 trisyoungs opened 1 month ago
0
Reference parameters when specifying an interaction potential in a generator

#1916 trisyoungs opened 1 month ago
0
Voxel Density

#1915 trisyoungs opened 1 month ago
0
feat: Permit global potential origins in fractional coordinates

#1914 trisyoungs closed 1 month ago
0
Specify fractional coordinates for positions for global potentials

#1913 trisyoungs closed 1 month ago
0
Can't edit (add/remove) parameters

#1912 trisyoungs opened 1 month ago
0
build: Update SCARF compile scripts

#1911 trisyoungs closed 1 month ago
0
refactor: Tidy site generation

#1910 trisyoungs closed 1 month ago
0
refactor: Test QML charting library in new window

#1909 RobBuchananCompPhys opened 1 month ago
0
fix: Correct tabulated energies and forces when applying internal scaling factors

#1908 trisyoungs closed 1 week ago
0