TeamOverkill md issues - Githubissues

TeamOverkill / md

Molecular Dynamics

MIT License

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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