Commits · 45bb931c63ea43f8fb8ea41cd6d34b02943eb409 · MolDyn / lib4neuro

Aug 29, 2019
- [WIP] Looking for an optimal set of symmetry functions. · 45bb931c
  Martin Beseda authored 5 years ago
  
  45bb931c
- [FIX] Fixed coordinates-redundancy check. · ec1b5267
  Martin Beseda authored 5 years ago
  
  ec1b5267
Aug 28, 2019
- FIX: fixed ACSF network structure and the corresponding example · dba05b97
  kra568 authored 5 years ago
  
  dba05b97
- [FIX] [WIP] Added exception. Implementing ACSF neural network. · 72e8af43
  Martin Beseda authored 5 years ago
  
  72e8af43
Aug 27, 2019
- [WIP] Fixing ACSF NN constructor. · 569d5c90
  Martin Beseda authored 5 years ago
  
  569d5c90
Aug 26, 2019
- [FIX] fixed compulation on Salomon · 57df9b10
  kra568 authored 5 years ago
  
  57df9b10
- FIX: compilation on Salomon · 65286c5f
  kra568 authored 5 years ago
  
  65286c5f
- FIX: build on Salomon · 85f7f859
  kra568 authored 5 years ago
  
  85f7f859
- Merge branch 'dev' of code.it4i.cz:bes0030/lib4neuro into dev · a95391fd
  Martin Beseda authored 5 years ago
  
  a95391fd
- [FIX] Fixed examples serving as validation tests. · eb29018d
  Martin Beseda authored 5 years ago
  
  eb29018d
- [FIX] Fixed Salomon compilation script. · ecc3c0b3
  bes0030 authored 5 years ago
  
  ecc3c0b3
- [FIX] Added validation test assert to ACSF2 example. Also added ACSF networks to 4neuro.h. · 91812246
  Martin Beseda authored 5 years ago
  
  91812246
Aug 25, 2019
- Merge branch 'dev' of code.it4i.cz:bes0030/lib4neuro into dev · 70656bde
  Martin Beseda authored 5 years ago
  
  70656bde
- [FIX] Added an example data for ACSF2 example. · ecb51bda
  Martin Beseda authored 5 years ago
  
  ecb51bda
- [FIX] Fixed compile script for Salomon cluster & added executable rights to... · 5ed97286
  bes0030 authored 5 years ago
  
  [FIX] Fixed compile script for Salomon cluster & added executable rights to Anselm compilation script.
  5ed97286
- [FIX] Fixed Release build script for Linux with GCC. · ada61e15
  Martin Beseda authored 5 years ago
  
  ada61e15
- [ENH] Added an exception thrown when read() method of Reader classes fails to open a file. · c2d87ff2
  Martin Beseda authored 5 years ago
  
  c2d87ff2
Aug 23, 2019
- [NEW] Added a compilation script for Salomon cluster. · ac985458
  Martin Beseda authored 5 years ago
  
  ac985458
Aug 22, 2019
- [NEW] added Release compile script for Linux · bec0600e
  Martin Beseda authored 5 years ago
  
  bec0600e
- bug fixes · f1552237
  kra568 authored 5 years ago
  
  f1552237
- [FIX] Trying to fix Windows Release mode compilation · 56e1c748
  Martin Beseda authored 5 years ago
  
  56e1c748
- [FIX] Trying to fix Windows Release mode compilation · d4c9c801
  Martin Beseda authored 5 years ago
  
  d4c9c801
Aug 21, 2019
- Merge branch 'dev' of code.it4i.cz:kra568/4Neuro into dev · 1d78d0d2
  Martin Beseda authored 5 years ago
  
  1d78d0d2
- [FIX] missing headers on windows · a4b5bd46
  kra568 authored 5 years ago
  
  a4b5bd46
Aug 20, 2019
- [ENH] Added predicted data print to ACSF2 example. · 2c164186
  Martin Beseda authored 5 years ago
  
  2c164186
- [FIX] Fixed inheritance of read() method in CSVReader class. · 494eef09
  Martin Beseda authored 5 years ago
  
  494eef09
- [ENH] [FIX] Implemented support for ACSF coordinates and automatic network... · ed451c64
  Martin Beseda authored 5 years ago
  
  [ENH] [FIX] Implemented support for ACSF coordinates and automatic network creation from XYZ molecule dataset.
  ed451c64
Aug 15, 2019
- [NEW] [FIX] Implemented G3, G4 and G5 functions & fixed bugs. · 3508e052
  Martin Beseda authored 5 years ago
  
  3508e052
Aug 14, 2019

[NEW] [ENH] Added necessary classes for using Atomic-Centered Symmetry... · c0511de2

Martin Beseda authored 5 years ago

[NEW] [ENH] Added necessary classes for using Atomic-Centered Symmetry Functions (Behler) & shortened CMakeLists.txt for examples.

c0511de2

May 10, 2019
- FIX: Added exceptions to not implemented functions · 47390980
  Martin Mrovec authored 5 years ago
  
  47390980
May 09, 2019
- ENH: Added new neurons - Absolute, LinearSaturated · 04d751a2
  Martin Mrovec authored 5 years ago
  
  04d751a2
Apr 17, 2019
- MNTC: Some neuron classes · ba7035c3
  Martin Mrovec authored 5 years ago
  
  ba7035c3
Apr 15, 2019
- [FIX] Added NeuronFilter and NeuronRectifier into 4neuro.h file. · c7f3e07c
  Martin Beseda authored 5 years ago
  
  c7f3e07c
Apr 12, 2019
- [DEL] Removed set_env_n_cores.bat file. · 434aeb4a
  Martin Beseda authored 5 years ago
  
  434aeb4a
- Merge branch 'dev' of code.it4i.cz:mrovma/lib4neuro into dev · a3a53eeb
  Martin Beseda authored 5 years ago
  
  a3a53eeb
- ENH: Added new neuron types · 5e1c7c35
  Martin Mrovec authored 5 years ago
  
  5e1c7c35
- Merge branch 'dev' of code.it4i.cz:mrovma/lib4neuro into dev · 294063bf
  Martin Beseda authored 5 years ago
  
  294063bf
- FIX: Exprtk wrapper now compatible with VS 2019 · e101d92b
  Martin Mrovec authored 5 years ago
  
  e101d92b
Apr 11, 2019
- Merge branch 'master' of https://code.it4i.cz/moldyn/lib4neuro · a7f65b6b
  Martin Mrovec authored 5 years ago
  
  a7f65b6b
Apr 09, 2019
- [FIX] Added executable rights to shell scripts in 'release-api' folder. · 4693f68b
  Martin Beseda authored 5 years ago
  
  4693f68b