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uw-cmg
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MAST
MAterials Simulation Toolkit for use with pymatgen
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Recipe contents are not read correctly
#425
ZhewenSong
closed
9 years ago
2
keywords added for HSE calculations
#424
ZhewenSong
closed
9 years ago
1
remove origin_dir; instead, copy POSCAR files into recipe directory
#423
cmgtam
closed
8 years ago
2
StructOpt-MAST Duplicate directories
#422
akacz
closed
8 years ago
1
StructOpt-MAST Log file complexity
#421
akacz
closed
8 years ago
1
StructOpt-MAST Genealogy Tree Issue
#420
akacz
closed
8 years ago
1
StructOpt Skip over troubled VASP jobs
#419
akacz
closed
8 years ago
2
StructOpt atoms too close for VASP
#418
akacz
closed
8 years ago
1
chopingredient parent image structures match on "00..0N" so neb name cannot contain that string
#417
cmgtam
opened
9 years ago
0
non-python standalones do not get packaged into pypi
#416
cmgtam
closed
9 years ago
1
put "done" or "stop" file in ingredient directory
#415
cmgtam
opened
10 years ago
0
finite size scaling should be able to change number of nodes and processors
#414
cmgtam
opened
10 years ago
0
Poscar file not ordering correctly with respect to defects; U values then out of sync
#413
cmgtam
opened
10 years ago
1
Wei installation doc comment 11
#412
cmgtam
opened
10 years ago
0
Wei installation doc comment 10
#411
cmgtam
opened
10 years ago
0
Wei installation doc comment 9
#410
cmgtam
closed
8 years ago
1
Wei installation doc comment 8
#409
cmgtam
opened
10 years ago
0
Wei installation doc comment 7
#408
cmgtam
closed
10 years ago
0
Wei installation doc comment 6
#407
cmgtam
closed
10 years ago
1
Wei installation doc comment 5, vasp pps
#406
cmgtam
closed
10 years ago
0
Wei installation doc comment 4
#405
cmgtam
closed
10 years ago
1
Wei installation doc comment 3
#404
cmgtam
opened
10 years ago
1
Wei installation doc comment 2
#403
cmgtam
closed
10 years ago
0
Wei installation doc comment 1
#402
cmgtam
opened
10 years ago
0
Wei's comments on MAST install docs
#401
cmgtam
closed
10 years ago
1
Removing looped MAST input files from execution directory
#400
akacz
opened
10 years ago
0
add Amy B and Saumitra to docs of Leland's code
#399
cmgtam
closed
7 years ago
0
job name restrictions on certain clusters
#398
cmgtam
opened
10 years ago
0
Additional "max jobs" option for platform submit templates
#397
henry-wu
closed
7 years ago
1
doc note: VASP_PSP_DIR setup change language
#396
cmgtam
closed
7 years ago
1
MAST installation documentation additions
#395
cmgtam
opened
10 years ago
0
Elements in posfile POSCAR determine POTCAR elements
#394
cmgtam
opened
10 years ago
0
defect metadata not being set correctly; charge not being set; defect_label not being set
#393
cmgtam
closed
10 years ago
0
MAST documentation by programmers
#392
cmgtam
closed
7 years ago
1
duplicates created in personal recipe
#391
cmgtam
closed
10 years ago
1
MAST generated xml graphical overview of the workflow
#390
henry-wu
opened
10 years ago
2
Allow MAST to work where there is no shared home directory on the node
#389
cmgtam
closed
8 years ago
2
If a looped input file is called outside of its directory, loops get created in the directory but then are not found
#388
cmgtam
opened
10 years ago
0
origin_dir may not set correctly
#387
cmgtam
closed
10 years ago
2
make workflow part of MAST more modular
#386
cmgtam
opened
10 years ago
0
atom indexing
#385
cmgtam
closed
7 years ago
2
make option to just submit from submitlist
#384
cmgtam
closed
8 years ago
2
occasionally structopt will fail on multiple cores on a single node
#383
cmgtam
closed
8 years ago
1
walltime error not caught on slurm
#382
cmgtam
opened
10 years ago
0
No error message given when 'begin/end' of the ingredient isn't in pair in .inp file.
#381
ZhewenSong
opened
10 years ago
0
StructOpt : Running VASP with ASE instead of MAST
#380
akacz
closed
8 years ago
1
add HSE following run to defect example workflow (esp. insulators)
#379
cmgtam
opened
10 years ago
0
structopt compatibility in MAST 1.1.0
#378
cmgtam
closed
8 years ago
1
Mixing LAMMPS and VASP Runs with MAST
#377
cmgtam
closed
8 years ago
1
Looping Queue Submissions in MAST
#376
cmgtam
closed
8 years ago
1
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