Commits · master · disMultiABM / namsa · GitLab

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Nov 01, 2019
- Add .gitlab-ci.yml · 55f82ecf
  Laanait, Nouamane authored 5 years ago
  
  55f82ecf
Sep 29, 2019
- fixing batch issue and grid generation cuda kernels · a9ff105d
  Laanait, Nouamane authored 5 years ago
  
  a9ff105d
Sep 24, 2019
- Merge branch 'master' of code.ornl.gov:disMultiABM/namsa · c00e2b32
  Laanait, Nouamane authored 5 years ago
  
  c00e2b32
- Adding first-principles scattering potential integration and some docs · a62412a9
  Laanait, Nouamane authored 5 years ago
  
  a62412a9
Sep 04, 2019
- Add LICENSE · 0c7720f8
  Laanait, Nouamane authored 5 years ago
  
  0c7720f8
Aug 07, 2019
- minor bugs · 08c03d91
  Laanait, Nouamane authored 5 years ago
  
  08c03d91
Aug 02, 2019
- various fixes · 821432c9
  Nouamane Laanait authored 5 years ago
  
  821432c9
May 30, 2019
- removing tf specific writing · 189f3653
  Laanait, Nouamane authored 5 years ago
  
  189f3653
May 29, 2019
- minor bug fixes to lmdb file writing · 009f656a
  Laanait, Nouamane authored 5 years ago
  
  009f656a
May 28, 2019
- fix to file writing for multiple sims from the same materials · a229d4f0
  Laanait, Nouamane authored 5 years ago
  
  a229d4f0
May 10, 2019
- adding new sim scripts, modified potential building kernels, and restructuring MSA classes · 52eb891c
  Laanait, Nouamane authored 5 years ago
  
  52eb891c
Apr 30, 2019
- checking for nan in cuda kernels and doubling size of cuda grid in z-direction · 6b160b23
  Laanait, Nouamane authored 5 years ago
  
  6b160b23
- change to potential building kernel · 3e6e9340
  Laanait, Nouamane authored 5 years ago
  
  3e6e9340
- minor mods to smc scripts and context creation has been pulled out of the MSA... · b8df5eb3
  Laanait, Nouamane authored 5 years ago
  
  minor mods to smc scripts and context creation has been pulled out of the MSA classes- this breaks MSAMPI.
  b8df5eb3
Apr 29, 2019
- mods to smc scripts · ae889eb0
  Laanait, Nouamane authored 5 years ago
  
  ae889eb0
- adding tally script · de564fd3
  Laanait, Nouamane authored 5 years ago
  
  de564fd3
- adding scripts to generate spacegroup classification for SMC19 · 94d4a36c
  Laanait, Nouamane authored 5 years ago
  
  94d4a36c
Apr 18, 2019
- minor updates (context creation/destruction, scattering calcs....) · 06b8efab
  Nouamane Laanait authored 5 years ago
  
  06b8efab
Apr 13, 2019
- adding more scripts · 8b73fe99
  Nouamane Laanait authored 5 years ago
  
  8b73fe99
Apr 12, 2019
- Merge branch 'master' of code.ornl.gov:disMultiABM/namsa · 105782f1
  Nouamane Laanait authored 5 years ago
  
  105782f1
- summit script files · d0a0d21d
  Nouamane Laanait authored 5 years ago
  
  d0a0d21d
Feb 28, 2019
- Update README.md · a8a3d58f
  Laanait, Nouamane authored 6 years ago
  
  a8a3d58f
Jan 25, 2019
- adding lmdb_write capability · 1080dcc7
  Laanait, Nouamane authored 6 years ago
  
  1080dcc7
Jan 24, 2019
- hack to avoid wrong probe positions when batch_size != self.num_probes · 531b5e5a
  Laanait, Nouamane authored 6 years ago
  
  531b5e5a
- bug fix in generate_probe_positions() · 23c6b667
  Laanait, Nouamane authored 6 years ago
  
  23c6b667
Jan 22, 2019
- updating scripts for sim ensemble production runs · 3d1e66a5
  Nouamane Laanait authored 6 years ago
  
  3d1e66a5
Jan 18, 2019
- new and refined sim ensemble code w/ tfrecord option · f3c0f62e
  Nouamane Laanait authored 6 years ago
  
  f3c0f62e
Jan 17, 2019
- scripts to simulate every material in database. · 5cdce115
  Nouamane Laanait authored 6 years ago
  
  5cdce115
- simulation ensemble script with necessary utils to do auto-find sim params · 2db1f5e6
  Laanait, Nouamane authored 6 years ago
  
  2db1f5e6
- changes to probe positions scans and context destruction · db7ba491
  Laanait, Nouamane authored 6 years ago
  
  db7ba491
Jan 13, 2019
- adding functions for basic scattering functionality · 147621d6
  Laanait, Nouamane authored 6 years ago
  
  147621d6
- fully-functional sim ensembles code · 73b967a0
  Nouamane Laanait authored 6 years ago
  
  73b967a0
Jan 12, 2019
- adding a thin-object approximation function · 319c6313
  Laanait, Nouamane authored 6 years ago
  
  319c6313
- adding bool option to propagate beam to multislice method · bffaffa2
  Laanait, Nouamane authored 6 years ago
  
  bffaffa2
- add mpi-based script to do simulation ensembles. · dcdfd18b
  Laanait, Nouamane authored 6 years ago
  
  dcdfd18b
Jan 11, 2019
- adding methods to unregister/free pinned memory w · 9743ec8b
  Laanait, Nouamane authored 6 years ago
  
  9743ec8b
- trying to fix a memory leak · c3b4603b
  Laanait, Nouamane authored 6 years ago
  
  c3b4603b
- minor bugs in context creation/deletion · 0be69ecd
  Laanait, Nouamane authored 6 years ago
  
  0be69ecd
Jan 10, 2019
- Add static method to manually detach cuda context and clear cache · 98a9a267
  Laanait, Nouamane authored 6 years ago
  
  98a9a267
- Reformatting atomic number arrays to be mapped by index of cached atomic potentials · 8f514c93
  Laanait, Nouamane authored 6 years ago
  
  8f514c93