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uw-cmg
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MAST
MAterials Simulation Toolkit for use with pymatgen
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Bump pymatgen from 4.7.1 to 2024.2.20
#475
dependabot[bot]
opened
6 months ago
0
kpoints errors for HSE06
#474
cmgtam
opened
6 years ago
0
kpoints indentation creates error for bandstructure diagrams
#473
cmgtam
opened
6 years ago
0
defect formation energy tool broken
#472
cmgtam
closed
7 years ago
0
add module load lines to aci hpc platform submit_template
#471
cmgtam
opened
7 years ago
0
fix deprecation errors
#470
cmgtam
closed
7 years ago
3
update or change reference to pathfinder code
#469
cmgtam
closed
7 years ago
1
update pathfinder citation
#468
cmgtam
closed
7 years ago
1
update MAST citation
#467
cmgtam
closed
7 years ago
0
deprecate StructOpt in favor of new StructOpt repository
#466
cmgtam
closed
7 years ago
1
atom_index_test throws errors due to busy NFS process on Bardeen
#465
rjacobs914
closed
7 years ago
0
workflow_test only finishes with ctrl-c force quit
#464
rjacobs914
closed
7 years ago
0
packaging docs
#463
cmgtam
closed
7 years ago
0
Add BCC 9-frequency model
#462
cmgtam
closed
7 years ago
1
five-frequency example solute selective dynamics flipped
#461
cmgtam
closed
7 years ago
1
when used, structure indexing should replace sorting of neb lines
#460
cmgtam
closed
7 years ago
1
neb_pathfinder.inp fails on CHGCAR
#459
cmgtam
closed
7 years ago
2
aci submit template may lack necessary lines
#458
cmgtam
closed
7 years ago
0
change potcar_setup.py reference to reference pymatgen doc
#457
cmgtam
closed
7 years ago
0
doc analytics
#456
cmgtam
closed
7 years ago
0
doc paper
#455
cmgtam
closed
7 years ago
0
MAST with anaconda does not install working directory tree correctly
#454
cmgtam
opened
8 years ago
0
dangling letters left on submitlist
#453
cmgtam
closed
8 years ago
2
MAST_SCRATCH directory frequently locked
#452
cmgtam
opened
8 years ago
0
add parallel monitor to doc
#451
cmgtam
closed
7 years ago
2
signal mast_program structopt to point to new StructOpt_modular
#450
cmgtam
closed
7 years ago
1
CHTC workflow may be deleting metadata lines
#449
cmgtam
opened
8 years ago
3
incompatible with pymatgen 4.0.2
#448
cmgtam
closed
7 years ago
2
mast must handle systems where there is a queue limit
#447
cmgtam
closed
7 years ago
3
keyword posfile POSCAR search incorrect with similar names
#446
cmgtam
opened
8 years ago
0
input file suggestions for easier reading
#445
cmgtam
opened
8 years ago
0
input parser handle blank line before first section
#444
cmgtam
closed
7 years ago
0
Dev
#443
ZhewenSong
closed
8 years ago
0
structure section in MAST input
#442
ZhewenSong
closed
8 years ago
1
python <command> needs full path
#441
cmgtam
closed
7 years ago
2
Fix POSCAR for images not writing
#440
cmgtam
closed
7 years ago
3
correct stampede templates
#439
cmgtam
closed
7 years ago
0
Defect Filter - may miss some defects
#438
bafflerbach
closed
8 years ago
1
structopt - copy file runs into name validation error since it nests initial folders
#437
cmgtam
closed
8 years ago
1
documentation - programmers should git clone instead of pypi install
#436
cmgtam
closed
7 years ago
1
add PSTRESS to vasp tags
#435
cmgtam
closed
7 years ago
0
add to error handler copy contcar to poscar on vasp suggestion
#434
cmgtam
opened
9 years ago
0
unconverged error generates 2 zip files on first catch and does not resubmit
#433
cmgtam
opened
9 years ago
0
Add ACI termination error to error handling
#432
cmgtam
opened
9 years ago
1
redo log files
#431
cmgtam
opened
9 years ago
0
atom indexing: NEB changes order of atoms
#430
cmgtam
closed
7 years ago
1
take VBM from eigenvalue, not as E-fermi?
#429
cmgtam
opened
9 years ago
1
Limit to looped MAST input file
#428
akacz
opened
9 years ago
4
allow addition of new ingredients into existing recipes from input file
#427
cmgtam
closed
8 years ago
1
Defect formation energy code not reading the E_0 energy
#426
ZhewenSong
opened
9 years ago
0
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