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Molecular Dynamics
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Make thermostat part of hamiltonian
#32
slaymuel
opened
5 years ago
0
Make new container for base.h
#31
slaymuel
opened
5 years ago
0
Move parser to io.h
#30
slaymuel
closed
5 years ago
0
Finalize Ewald
#29
slaymuel
opened
5 years ago
0
Bug when saving 100 frames
#28
slaymuel
opened
5 years ago
0
Smartly structure LJ params and mixing rules.
#27
slaymuel
opened
5 years ago
0
Build with CMAKE
#26
slaymuel
closed
5 years ago
2
Nose-Hoover thermostat
#25
slaymuel
opened
5 years ago
3
Add neighbour lists or similar
#24
slaymuel
opened
5 years ago
0
Center box at origin
#23
slaymuel
closed
5 years ago
0
Long range interaction should act between atoms separated by three or more bonds
#22
slaymuel
closed
5 years ago
1
Solve: list of atoms separated by 3 or more bonds
#21
slaymuel
closed
5 years ago
1
Add Angles particle
#20
slaymuel
closed
5 years ago
2
Fix a geometry class
#19
slaymuel
closed
5 years ago
1
Implement 3D Ewald summation
#18
slaymuel
closed
5 years ago
1
Fully implement Particles.h
#17
slaymuel
closed
5 years ago
0
Calculate RDF
#16
vaspelin
opened
5 years ago
1
Calculate pressure and barostats
#15
slaymuel
opened
5 years ago
0
Analysis class
#14
slaymuel
closed
5 years ago
1
Lists for different types of atoms, potential to be used should be decided on context.
#13
slaymuel
closed
5 years ago
1
Boundary conditions container
#12
slaymuel
closed
5 years ago
0
WCA potential
#11
SHervoe-Hansen
opened
5 years ago
0
Save output and trajectory to file
#10
vaspelin
opened
6 years ago
1
Minimisation option
#9
SHervoe-Hansen
closed
5 years ago
1
Start from a saved configuration
#8
SHervoe-Hansen
closed
5 years ago
0
Constraint algorithm (SHAKE, LINCS etc)
#7
slaymuel
opened
6 years ago
0
Thermodynamic integration
#6
slaymuel
opened
6 years ago
0
Lennard Jones interactions: Program calibration and testing
#5
SHervoe-Hansen
closed
6 years ago
0
Magnetic repulsion between particles
#4
SHervoe-Hansen
closed
6 years ago
1
Magnetic interactions with boundaries
#3
SHervoe-Hansen
closed
5 years ago
0
Add periodic boundary conditions
#2
slaymuel
closed
6 years ago
1
Add initialiser to initialise system
#1
slaymuel
closed
6 years ago
2