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SimonEnsemble
/
PorousMaterials.jl
Julia package towards classical molecular modeling of nanoporous materials
GNU General Public License v3.0
51
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11
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Documentation cleanup and final touches
#96
ahyork
closed
5 years ago
1
Removing `target` parameter from the `deploydocs` function in make.jl
#95
ahyork
closed
5 years ago
2
changed `nav` to `pages` in mkdocs. Should construct the navbar now
#94
ahyork
closed
5 years ago
1
update `make.jl`
#93
ahyork
closed
5 years ago
1
xyz fix
#92
SimonEnsemble
closed
5 years ago
0
Cap Documenter.jl to 0.19 on Travis
#91
mortenpi
closed
5 years ago
0
Fixed pip installation issue
#90
ahyork
closed
5 years ago
0
Update .travis.yml
#89
ahyork
closed
5 years ago
0
Fixed `make.jl`
#88
ahyork
closed
5 years ago
1
doc website
#87
SimonEnsemble
closed
5 years ago
1
Henry checkpoint
#86
Surluson
closed
5 years ago
1
Return number of pockets blocked, make inaccessible pocket blocking optional
#85
SimonEnsemble
closed
5 years ago
0
Minor fixes
#84
Surluson
closed
5 years ago
1
return porosity in grid accessibility function; allow flexibility in units
#83
SimonEnsemble
closed
5 years ago
0
contains --> occursin for Julia 1.0 change
#82
SimonEnsemble
closed
5 years ago
0
Flood fill fix
#81
SimonEnsemble
closed
5 years ago
5
package dependency woes?
#80
SimonEnsemble
closed
5 years ago
0
Using `length` on framework.charges and molecule.charges
#79
Andrew-S-Rosen
closed
5 years ago
3
Grid flood fill
#78
SimonEnsemble
closed
5 years ago
2
Eos 2
#77
silsbyc96
closed
4 years ago
3
Ewalds speed up
#76
ahyork
closed
5 years ago
2
Using `joinpath` for constructing path variables
#75
Andrew-S-Rosen
closed
5 years ago
11
Documentation Website
#74
ahyork
closed
5 years ago
8
henry bond length drift checks; speed up on rotation and translation
#73
SimonEnsemble
closed
5 years ago
2
Paths and Windows-compatibility
#72
Andrew-S-Rosen
closed
5 years ago
2
Add Tutorial Mode
#71
ahyork
closed
5 years ago
5
Eos 2
#70
silsbyc96
closed
5 years ago
5
Speed improvements by keeping memory contiguous
#69
SimonEnsemble
closed
5 years ago
1
Eos 2
#68
silsbyc96
closed
5 years ago
1
Simulation with two boxes
#67
mtap-research
closed
4 years ago
1
Switch to 0.7.0 and 1.0.0
#66
ahyork
closed
5 years ago
2
Switch to julia 0.7 and 1.0
#65
ahyork
closed
5 years ago
2
updated REQUIRE
#64
SimonEnsemble
closed
5 years ago
0
Fix grid, assert henry molecule not modified, always check bond lengths in gcmc and henry at end
#63
SimonEnsemble
closed
5 years ago
1
Switch to 0.7.0
#62
ahyork
closed
5 years ago
0
compute # insertions before replicating xtal structure; otherwise redundant
#61
SimonEnsemble
closed
5 years ago
1
EOS.jl merge with PengRobinson
#60
silsbyc96
closed
5 years ago
1
Documentation
#59
ahyork
closed
5 years ago
1
Savename comments
#58
Surluson
closed
5 years ago
1
Gcmc checkpoint
#57
Surluson
closed
5 years ago
1
H2S molecule added to test/data/molecule
#56
huynmela
closed
5 years ago
3
tic() toc() function added to results of KH
#55
huynmela
closed
5 years ago
1
Outputing results to terminal
#54
mtap-research
closed
5 years ago
3
Making PorousMaterials Precompile
#53
ahyork
closed
5 years ago
2
added build status and coverage badges for the README.md file
#52
ahyork
closed
5 years ago
1
custom path when running PorousMaterials.jl
#51
mtap-research
closed
5 years ago
4
tag version
#50
SimonEnsemble
closed
5 years ago
0
error during importing crystal structure
#49
mtap-research
closed
5 years ago
2
add write_vtk to PorousMaterials.jl expose it
#48
SimonEnsemble
closed
5 years ago
2
Setting up Travis-CI and Coveralls
#47
ahyork
closed
5 years ago
1
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