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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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Automatic JuliaFormatter.jl run
#249
github-actions[bot]
closed
4 days ago
0
v0.5
#248
eahenle
opened
4 days ago
1
NVT simulation
#247
eahenle
closed
4 days ago
0
Add convergence error
#246
eahenle
closed
4 days ago
0
precompile
#245
eahenle
closed
4 days ago
0
test/Project.toml
#244
eahenle
closed
4 days ago
0
Automatic JuliaFormatter.jl run
#243
github-actions[bot]
closed
4 days ago
0
Eahenle patch 1
#242
eahenle
closed
4 days ago
0
Document pseudoatoms
#241
eahenle
closed
4 days ago
0
fix energy grid w/ rotation & charges
#240
eahenle
closed
4 days ago
0
fix energy grid w/ rotation & charges
#239
eahenle
closed
4 days ago
2
Test Coverage
#238
eahenle
opened
6 days ago
1
Document Pseudoatoms
#237
eahenle
closed
4 days ago
2
Document use of `rc` to add pseudo-atoms in `Molecule`s
#236
qlx17
closed
4 days ago
3
Error when computing energy grid for rotatable molecules in a charged crystal
#235
qlx17
closed
4 days ago
1
muVT_sim docs out of date
#233
SimonEnsemble
closed
4 days ago
2
Automatic JuliaFormatter.jl run
#232
github-actions[bot]
closed
1 year ago
0
Automatic JuliaFormatter.jl run
#231
github-actions[bot]
closed
1 year ago
0
Create formatter.yml
#230
eahenle
closed
4 days ago
2
test/Project.toml
#229
eahenle
closed
4 days ago
1
precompile
#228
eahenle
closed
4 days ago
2
julia compat for registration
#227
eahenle
closed
1 year ago
0
make test data available during docs deployment
#226
eahenle
closed
1 year ago
0
docs deployment patch
#225
eahenle
closed
1 year ago
0
bump version for mixture gcmc
#224
eahenle
closed
1 year ago
0
eachindex
#223
eahenle
closed
1 year ago
1
Update Project.toml
#222
eahenle
closed
2 years ago
0
Xtals and Polynomials compat update
#221
eahenle
closed
2 years ago
1
muVT parallelization
#220
eahenle
opened
2 years ago
0
temporary files
#219
eahenle
closed
4 days ago
0
split workflows
#218
eahenle
closed
2 years ago
2
Xtals 0.4.0
#217
eahenle
closed
2 years ago
1
cross-platform build failure
#216
eahenle
closed
4 days ago
1
clean up old files
#215
eahenle
closed
4 days ago
1
v0.4.0
#214
eahenle
closed
2 years ago
2
distributed energy grid calcs
#213
eahenle
opened
2 years ago
0
`henry_coefficient` results dict missing info
#211
eahenle
opened
2 years ago
1
compat
#210
eahenle
closed
2 years ago
1
fix incorrect path key
#209
eahenle
closed
2 years ago
2
missing key in `henry_coefficient`
#208
eahenle
closed
4 days ago
0
distributed Henry calc'ns
#212
eahenle
opened
2 years ago
0
Xtals v0.3.10
#207
eahenle
closed
2 years ago
1
Cross platform ci
#206
eahenle
closed
2 years ago
1
relax compats
#205
eahenle
closed
2 years ago
3
V0.3.3
#204
eahenle
closed
2 years ago
2
relax compat
#203
eahenle
closed
2 years ago
0
Codecov
#202
eahenle
closed
2 years ago
1
Xtalspytools
#201
eahenle
closed
2 years ago
0
DOCUMENTER_KEY missing from docs deployment in CI
#200
eahenle
closed
2 years ago
0
use `@views` for efficiency
#199
eahenle
opened
2 years ago
0
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