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SimonEnsemble
/
PorousMaterials.jl
Julia package towards classical molecular modeling of nanoporous materials
GNU General Public License v3.0
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migrate
#198
eahenle
closed
2 years ago
0
Ci workflow
#197
eahenle
closed
2 years ago
0
codecov
#196
eahenle
closed
2 years ago
0
run CI build on PRs
#195
eahenle
closed
2 years ago
0
ci migration
#194
eahenle
closed
2 years ago
1
migrate to GitLab CI
#193
eahenle
closed
2 years ago
0
change FIGlet font
#192
eahenle
closed
2 years ago
0
doctest fix
#191
eahenle
closed
2 years ago
0
henry `autosave`
#190
SimonEnsemble
closed
2 years ago
2
Allow Multi-species GCMC
#189
ngantzler
closed
1 year ago
0
Efficiency in `vdw_energy`?
#188
eahenle
closed
2 years ago
1
IAST
#187
eahenle
closed
6 days ago
0
visualizations
#186
eahenle
closed
6 days ago
1
v0.3.1
#185
eahenle
closed
3 years ago
1
set_paths
#184
eahenle
closed
3 years ago
1
set_paths
#183
eahenle
closed
3 years ago
0
codecov
#182
eahenle
closed
2 years ago
0
Doctests
#181
eahenle
closed
3 years ago
2
Center of mass
#180
eahenle
closed
3 years ago
2
TagBot trigger issue
#179
JuliaTagBot
closed
3 years ago
15
grid replication?
#178
eahenle
opened
3 years ago
0
no parallelism in stepwise adsorption isotherm
#177
eahenle
closed
3 years ago
0
doctests
#176
eahenle
closed
3 years ago
0
V0.4.0
#175
eahenle
closed
3 years ago
3
calculate_ϕ
#174
eahenle
closed
3 years ago
0
Xtals dep
#173
eahenle
closed
3 years ago
0
fix docstrings: crystal_density & write_vtk
#172
eahenle
closed
3 years ago
0
compat StatsBase 0.33.8 & Optim 1.3.0
#171
eahenle
closed
3 years ago
0
correct and clarify two docstrings
#170
eahenle
closed
3 years ago
1
Allow Multi-species GCMC Simulations
#169
ngantzler
closed
3 years ago
1
Adaptive spatial step
#168
ngantzler
closed
3 years ago
0
refactored grid functions to take grid_dx input instead of n_pts
#167
eahenle
closed
3 years ago
4
Adsorbate snapshot fixed
#166
ngantzler
closed
3 years ago
1
Added grids page to the docs builder
#165
ngantzler
closed
3 years ago
0
Energy Minimization Docs Patch
#164
ngantzler
closed
3 years ago
0
docs for energy minimization
#163
SimonEnsemble
closed
3 years ago
1
energy grid not in docs
#162
SimonEnsemble
closed
3 years ago
0
Error When Trying to Write Adsorbate Snapshots
#161
ngantzler
closed
3 years ago
0
Add Identity Change To GCMC Mixture Simulations
#160
ngantzler
closed
3 years ago
0
Find energy minimum
#159
ngantzler
closed
3 years ago
1
CSV needs sink now
#158
SimonEnsemble
closed
3 years ago
0
Major refactor
#157
SimonEnsemble
closed
3 years ago
0
Viz
#156
SimonEnsemble
closed
3 years ago
0
cory and nick allow density grid to be computed over just the origina…
#155
SimonEnsemble
closed
3 years ago
0
Density grid gcmc patch
#154
SimonEnsemble
closed
3 years ago
0
Viz
#153
SimonEnsemble
closed
3 years ago
0
box, distance docs
#152
eahenle
closed
3 years ago
0
Docs for Molecule, LJForceField, Grid, and GCMC
#151
ngantzler
closed
3 years ago
0
fresh new branch from major refactor without weird changes from other files…
#150
huynmela
closed
3 years ago
0
Docs for eos
#149
huynmela
closed
3 years ago
2
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