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JuliaMolSim
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Molly.jl
Molecular simulation in Julia
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Add caveat to NoseHoover docs
#130
ejmeitz
closed
1 year ago
2
Add option to disable loggers in all Simulator structs
#129
ejmeitz
closed
1 year ago
6
AtomsBase not properly implemented
#128
mfherbst
closed
11 months ago
4
Boltzmann Constant in LAMMPS 'real' units does not work
#127
ejmeitz
closed
1 year ago
5
Links in Docs are broken
#126
ejmeitz
closed
1 year ago
2
Crystals v2
#125
ejmeitz
closed
1 year ago
11
key "HB1" not found in forcefield
#124
overshiki
opened
1 year ago
1
Fix GitHub Pages Link
#123
ejmeitz
closed
1 year ago
1
Correct some typos
#122
goggle
closed
1 year ago
2
Unit conversion for general interactions
#121
swyant
closed
1 year ago
5
Add Side Length checker
#120
exAClior
closed
1 year ago
5
Fix spelling
#119
JaydevSR
closed
1 year ago
1
Hotfix for Julia 1.9
#118
axsk
closed
1 year ago
2
Precompilation error due to zygote.jl
#117
Geophyte
closed
1 year ago
4
CompatHelper: bump compat for BioStructures to 2, (keep existing compat)
#116
github-actions[bot]
closed
1 year ago
1
CompatHelper: bump compat for CellListMap to 0.8, (keep existing compat)
#115
github-actions[bot]
closed
1 year ago
0
Automatic conversion to terminal N-terminal hydrogens
#114
axsk
closed
1 year ago
4
CompatHelper: bump compat for StaticArrays to 1, (keep existing compat)
#113
github-actions[bot]
closed
1 year ago
0
System constructor cannot be found?
#112
axsk
closed
1 year ago
3
CompatHelper: bump compat for CUDA to 4, (keep existing compat)
#111
github-actions[bot]
closed
1 year ago
1
Crystal Structure Generation
#110
ejmeitz
closed
1 year ago
10
CompatHelper: bump compat for AtomsBase to 0.3, (keep existing compat)
#109
github-actions[bot]
closed
1 year ago
0
Molly Feature Parity List
#108
ejmeitz
closed
1 year ago
1
NoseHoover Thermostat
#107
ejmeitz
closed
1 year ago
32
Symbol missing error when running documentation code
#106
ejmeitz
closed
1 year ago
1
Started Muller-Brown potential
#105
ejmeitz
closed
1 year ago
16
Monte-Carlo for molecules
#104
JaydevSR
closed
1 year ago
10
Incompatibility of types -> bug
#103
Leticia-maria
closed
1 year ago
2
testing failure with CellListMap v0.8.3
#102
leios
closed
1 year ago
4
Molly needs a logo!
#101
JaydevSR
opened
1 year ago
13
Update docs.md
#100
mi-ayala
closed
1 year ago
4
adding preliminary AMDGPU support
#99
leios
opened
1 year ago
6
CompatHelper: bump compat for CellListMap to 0.8, (keep existing compat)
#98
github-actions[bot]
closed
1 year ago
2
RATTLE constraint for velocities
#97
chemicalfiend
closed
1 year ago
4
doc changes and additions
#96
JaydevSR
closed
1 year ago
3
Speed up for softcore potentials and fixes to Mie
#95
JaydevSR
closed
1 year ago
1
`Mie` interaction gives `InexactError` due to the `convert` in constructor
#94
JaydevSR
closed
1 year ago
1
CompatHelper: bump compat for Zygote to 0.6, (keep existing compat)
#93
github-actions[bot]
closed
12 months ago
1
Broken links in docs
#92
chemicalfiend
closed
1 year ago
2
Fix inline math for docstring
#91
JaydevSR
closed
1 year ago
3
Dead link in force.jl
#90
jty-computation
closed
1 year ago
1
Add `LennardJonesSoftCore` and `CoulombSoftCore`
#89
JaydevSR
closed
1 year ago
3
CompatHelper: bump compat for Zygote to 0.6, (keep existing compat)
#88
github-actions[bot]
closed
1 year ago
0
correct a typo
#87
ehsanirani
closed
1 year ago
1
REMD generalization and H-REMD
#86
JaydevSR
closed
1 year ago
9
Wrapping the interactions in a structure.
#85
JaydevSR
opened
1 year ago
2
SHAKE constraint implementation for bonds
#84
chemicalfiend
closed
1 year ago
11
CompatHelper: bump compat for UnitfulChainRules to 0.1, (keep existing compat)
#83
github-actions[bot]
closed
1 year ago
1
SHAKE constraint for bonds
#82
chemicalfiend
closed
1 year ago
6
CompatHelper: bump compat for Zygote to 0.6, (keep existing compat)
#81
github-actions[bot]
closed
1 year ago
1
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