SENPAI-Molecular-Dynamics SENPAI issues

SENPAI-Molecular-Dynamics / SENPAI

Molecular dynamics simulation software

https://senpaimd.org

GNU General Public License v3.0

125 stars 16 forks source link

issues

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Newest Most commented Recently updated Oldest Least commented Least recently updated

Getting errors/login prompts when accessing senpaimd.org

#35 Ayowel opened 10 months ago
1
Parallelization with OpenMP

#34 coti closed 2 years ago
1
Fix README documentation URLs

#33 benoit-dubreuil closed 2 years ago
0
Makefile

#32 gwenya closed 3 years ago
0
Rework the Makefile to make it look like an actual Makefile

#31 Chelsea486MHz closed 3 years ago
0
WIP:Format formalization

#30 guygastineau opened 3 years ago
2
Translation (German, French, Spanish, Italian...)

#29 Chelsea486MHz opened 3 years ago
5
Compute initial velocities through a Maxwell-Boltzmann distribution

#28 Chelsea486MHz opened 3 years ago
0
Allow the user to specify a seed for srand

#27 munvoseli closed 3 years ago
0
Allow the user to manually provide the srand seed

#26 Chelsea486MHz closed 3 years ago
1
Formalize the input format for substrates/solvents

#25 Chelsea486MHz closed 2 years ago
9
Tetrahedral numerical differentiation

#24 munvoseli closed 3 years ago
0
Tetrahedral numerical differentiation

#23 munvoseli closed 3 years ago
1
fix that weird bug

#22 gwenya closed 3 years ago
0
Revert "[DRAFT] SENPAI Parallel computing #9 -- OpenMP implementation"

#21 raresraf closed 4 years ago
1
[DRAFT] SENPAI Parallel computing #9 -- MPI implementation

#19 raresraf opened 4 years ago
2
[DRAFT] SENPAI Parallel computing #9 -- pThreads implementation

#18 raresraf opened 4 years ago
3
[DRAFT] SENPAI Parallel computing #9 -- OpenMP implementation

#17 raresraf closed 4 years ago
2
Extreme slowdown from periodic boundary conditions

#16 Chelsea486MHz closed 3 years ago
2
Inefficient potential reduction

#15 Chelsea486MHz opened 4 years ago
2
Fix a few uninitialized memory uses

#14 vainiovano closed 4 years ago
0
MOLV2000 format not entirely supported.

#13 JuhaJGamer closed 4 years ago
2
Some fixes and improvements, new potential optimisation

#12 Chelsea486MHz closed 4 years ago
0
Load simulation parameters from a separate file

#11 Kastakin opened 4 years ago
4
Implement loadable models

#10 Chelsea486MHz closed 2 years ago
4
Parallel computing

#9 Chelsea486MHz closed 2 years ago
26
Discard the proprietary file format and have SENPAI run on the MOLV2000 format

#8 Chelsea486MHz closed 5 years ago
0
Invalid force and potential computation

#7 Chelsea486MHz closed 4 years ago
5
Implement bond torsion

#6 Chelsea486MHz opened 5 years ago
0
Invalid bond angle forces on PBC enforcement

#5 Chelsea486MHz closed 5 years ago
1
Add Monte Carlo potential reduction

#4 Chelsea486MHz closed 5 years ago
1
Closed universe

#3 Chelsea486MHz closed 5 years ago
1
Add variable number of bonds

#2 Chelsea486MHz closed 5 years ago
1
Potential is fucky

#1 Chelsea486MHz closed 5 years ago
2