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CTCMS-UQ
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QtNEMD
Interactive graphical frontend for NEMD calculations
GNU General Public License v3.0
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Added Debra's collection of changes and bug-fixes
#23
emilyviolet
closed
1 year ago
0
Update README.md
#22
emilyviolet
closed
1 year ago
0
Add new installation script and update Readme.md
#21
emilyviolet
closed
1 year ago
0
Remove unused Fortran unit test
#20
emilyviolet
closed
1 year ago
0
More fixes to mean-square displacement calculations.
#19
emilyviolet
closed
2 years ago
0
Dev
#18
emilyviolet
closed
2 years ago
1
Fixed error in formula for radial distribution function.
#17
emilyviolet
closed
2 years ago
0
Discontinuous spikes in MSD timeseries
#16
emilyviolet
opened
2 years ago
1
Fixed bug in MainWindow.py
#15
emilyviolet
closed
2 years ago
0
Update unit tests to run on MacOS VM
#14
emilyviolet
closed
2 years ago
1
Merge dev into main: unittests and MSD
#13
emilyviolet
closed
2 years ago
0
Merge dev into main: MSD and pressure
#12
emilyviolet
closed
2 years ago
0
Calculate and display more thermodynamic properties
#11
emilyviolet
opened
2 years ago
2
More unit tests.
#10
emilyviolet
closed
2 years ago
0
Added parameter to control floating point precision at compile time.
#9
emilyviolet
closed
2 years ago
0
Merge dev into main: linting
#8
emilyviolet
closed
2 years ago
0
Create action to automatically build and test code
#7
emilyviolet
closed
2 years ago
0
Merge development changes into main
#6
emilyviolet
closed
2 years ago
0
RDF cutoff radius potentially too small
#5
emilyviolet
opened
2 years ago
0
Change temperature while the simulation is running
#4
emilyviolet
opened
3 years ago
0
Radial distribution function plot doesn't reset properly
#3
emilyviolet
closed
2 years ago
1
Friendly installer
#2
emilyviolet
opened
3 years ago
1
Crashes on segfault when toggling NEMD field
#1
emilyviolet
closed
3 years ago
0