Commits · 0.1.0 · nomad-lab / soap-plus-plus

28 Sep, 2016 1 commit
- Valence charge density added. · c1a1e4cd
  Carl Poelking authored Sep 28, 2016
  
  c1a1e4cd
21 Sep, 2016 4 commits
- Boost version requirement lifted. · ad9f37a5
  Carl Poelking authored Sep 21, 2016
  
  ad9f37a5
- CMake intel compiler no longer hardcoded. · cc2f0955
  Carl Poelking authored Sep 21, 2016
  
  cc2f0955
- Mods for notebook integration. · a856848a
  Carl Poelking authored Sep 21, 2016
  
  a856848a
- Embedded soap.linalg.permanent and soap.soapy.momo modules. · 87851431
  Carl Poelking authored Sep 21, 2016
  
  87851431
20 Sep, 2016 1 commit
- Graph-kernel function factory. · 26d685d3
  Carl Poelking authored Sep 20, 2016
  
  26d685d3
19 Sep, 2016 3 commits
- Structure density customization. · 556d4e7c
  Carl Poelking authored Sep 19, 2016
  
  556d4e7c
- Periodic table: properties. · af6d7114
  Carl Poelking authored Sep 19, 2016
  
  af6d7114
- Nearest-image convention abandoned. · 54bd3f5b
  Carl Poelking authored Sep 19, 2016
  
  54bd3f5b
18 Sep, 2016 1 commit
- Beaker mods and abandoning non-nearest-img convention. · 287c707f
  Carl Poelking authored Sep 18, 2016
  
  287c707f
21 Jul, 2016 4 commits
- Interface to quippy. · 4bf82771
  Carl Poelking authored Jul 21, 2016
  
  4bf82771
- CMakeLists.txt update. · f7f6a1f3
  Carl Poelking authored Jul 21, 2016
  
  f7f6a1f3
- Files added. · 595ed3c6
  Carl Poelking authored Jul 21, 2016
  
  595ed3c6
- PCA etc. · 660112cf
  Carl Poelking authored Jul 21, 2016
  
  660112cf
12 Jul, 2016 1 commit
- Hierarchy generalization. · 15068923
  Carl Poelking authored Jul 12, 2016
  
  15068923
08 Jul, 2016 1 commit
- Eta, gamma optimization; krr helpers. · 5b2fec7a
  Carl Poelking authored Jul 08, 2016
  
  5b2fec7a
05 Jul, 2016 1 commit
- Identifying memory issues: subgraphs. · 70eaf835
  Carl Poelking authored Jul 05, 2016
  
  70eaf835
23 Jun, 2016 2 commits
- Merge branch 'master' of https://github.com/capoe/soapxx · 236376dc
  Carl Poelking authored Jun 23, 2016
  
  236376dc
- Kernel adaptor, 'specific' mode. · d6724683
  Carl Poelking authored Jun 23, 2016
  
  d6724683
21 Jun, 2016 2 commits
- Debug in k_hierarchical, regularization automated. · 4c404fa2
  Carl Poelking authored Jun 21, 2016
  
  4c404fa2
- Warnings issued. · 3fd8ad4c
  Carl Poelking authored Jun 21, 2016
  
  3fd8ad4c
17 Jun, 2016 1 commit
- soapy.util module. · 63619fe1
  Carl Poelking authored Jun 17, 2016
  
  63619fe1
16 Jun, 2016 1 commit
- Setup: soapy + lagraph. · 9d3c59fe
  Carl Poelking authored Jun 16, 2016
  
  9d3c59fe
15 Jun, 2016 2 commits
- Incorporate test mods. · d422492a
  Carl Poelking authored Jun 15, 2016
  
  d422492a
- Archiving: fixes. · 0193e21a
  Carl Poelking authored Jun 15, 2016
  
  0193e21a
02 Jun, 2016 2 commits
- Radial basis ticks. · 25c8a15c
  Carl Poelking authored Jun 02, 2016
  
  25c8a15c
- Three-body terms. · b668b168
  Carl Poelking authored Jun 02, 2016
  
  b668b168
21 May, 2016 1 commit
- Hexcomb test setup. · 3e35429d
  Carl Poelking authored May 21, 2016
  
  3e35429d
20 May, 2016 1 commit
- Three-body terms. · a8478c0b
  Carl Poelking authored May 20, 2016
  
  a8478c0b
19 May, 2016 1 commit
- Spawning criterion. · 5970e00a
  Carl Poelking authored May 19, 2016
  
  5970e00a
18 May, 2016 1 commit
- SIMS-LJ tree systems. · fa88b59e
  Carl Poelking authored May 18, 2016
  
  fa88b59e
17 May, 2016 2 commits
- Exploration. · d784f35b
  Carl Poelking authored May 17, 2016
  
  d784f35b
- Triangulation. · 956e0963
  Carl Poelking authored May 17, 2016
  
  956e0963
16 May, 2016 1 commit
- Metafield tests. · a84f7aa3
  Carl Poelking authored May 16, 2016
  
  a84f7aa3
13 May, 2016 1 commit
- Systep exploration. · c882a9c1
  Carl Poelking authored May 13, 2016
  
  c882a9c1
11 May, 2016 1 commit
- Eigstruct and NLDR tests. · dca4db31
  Carl Poelking authored May 11, 2016
  
  dca4db31
10 May, 2016 2 commits
- Configuration kernel PCA. · 5e1b95c2
  Carl Poelking authored May 10, 2016
  
  5e1b95c2
- Added pc analysis script. · 3d8e7a67
  Carl Poelking authored May 10, 2016
  
  3d8e7a67
09 May, 2016 1 commit
- Global spectrum: consistency with gradients via pair normalization, tests. · 7dc3eccf
  Carl Poelking authored May 09, 2016
  
  7dc3eccf
07 May, 2016 1 commit
- Kernel normalization fix, important for optimization. · cb6f5e35
  Carl Poelking authored May 07, 2016
  
  cb6f5e35