Commits · 99292e4c12f1e95f180eef49324b65e29b0277a3 · NMPP / FaVAD · GitLab

20 Feb, 2020 3 commits
- Add new file · 99292e4c
  Francisco Javier Dominguez Gutierrez authored Feb 20, 2020
  
  99292e4c
- Descriptor vectors of a hydrogenated W sample · e5719e2c
  Francisco Javier Dominguez Gutierrez authored Feb 20, 2020
  
  e5719e2c
- Update DV_creator.py · e13c0e83
  Francisco Javier Dominguez Gutierrez authored Feb 20, 2020
  
  e13c0e83
17 Feb, 2020 1 commit
- Updated with information on the descriptor_vectors folder. · f0f90ee2
  Michele Compostella authored Feb 17, 2020
  
  f0f90ee2
16 Feb, 2020 24 commits
- Update D · 9605b766
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  9605b766
- Add new file · 496d9701
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  496d9701
- Add new file · df079429
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  df079429
- Add new file · 459e458d
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  459e458d
- Add new file · 72fd7d97
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  72fd7d97
- Geometry of a single vacancy in a bcc W lattice sample at 0 K. · e1326ec1
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  e1326ec1
- Add new file · bd6bbc5a
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  bd6bbc5a
- Geometry of a thetrahedral interstitial W atom in a bcc lattice at 0 K. · 99718752
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  99718752
- Geometry of a bcc W cell at a sample temperature of 0 K. · 599c2b5f
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  599c2b5f
- Update DV_creator.py · 11d09b00
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  11d09b00
- Python script to create the set of reference Descriptor Vectors of the... · ee387d5d
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
```
Python script to create the set of reference Descriptor Vectors of the standard point defects for a bcc Fe sample.
```
  ee387d5d
- Geometry of a single vacancy in a bcc lattice Fe sample at a temperature of 0 K. · 0c7546c9
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  0c7546c9
- Geometry of the tetrahedral interstitial atom at a sample temperature of 0 K. · f137f530
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  f137f530
- Geometry of the bcc lattice Fe cell. It is also called defect free Fe sample... · 0f2935e0
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
```
Geometry of the bcc lattice Fe cell. It is also called defect free Fe sample at a temperature of 0 K.
```
  0f2935e0
- Update parameters.txt · 963296dd
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  963296dd
- Update typea_vector.dat · 541b16cf
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  541b16cf
- Update vacancy_vector.dat · 8e39e763
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  8e39e763
- Update interstitial_vector.dat · 9d97040f
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  9d97040f
- Update bcc_vector.dat · c1c1870c
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  c1c1870c
- Update bcc_vector.dat · 96dde440
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  96dde440
- Update bcc_vector.dat · aaf0840d
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  aaf0840d
- Set of standard descriptor vectors for a bcc W sample · c45ff3dc
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  c45ff3dc
- Set of standard descriptor vectors for a bcc Fe sample · 7f01a5dd
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  7f01a5dd
- Sets of standard descriptor vectors for different materials · daf5065b
  Francisco Javier Dominguez Gutierrez authored Feb 16, 2020
  
  daf5065b
30 Jan, 2020 3 commits
- Update README.md with information on how to create a full movie · d7d260c1
  Michele Compostella authored Jan 30, 2020
  
  d7d260c1
- Added -r to the copy of the PCA folder · c9f1ccb8
  Michele Compostella authored Jan 30, 2020
  
  c9f1ccb8
- Moved PCA script to software folder · bdffcb2c
  Michele Compostella authored Jan 30, 2020
  
  bdffcb2c
21 Jan, 2020 1 commit
- Update README.md · 75f2fbb1
  Michele Compostella authored Jan 21, 2020
  
  75f2fbb1
17 Jan, 2020 6 commits
- Additional h-line and small text corrections regarding new crystal structures · badd4c1b
  Michele Compostella authored Jan 17, 2020
  
  badd4c1b
- Update README.md · 11fa269c
  Michele Compostella authored Jan 17, 2020
  
  11fa269c
- Update README.md · 5ef0a226
  Michele Compostella authored Jan 17, 2020
  
  5ef0a226
- Update README.md with information about using different input files. · 9ce3fd91
  Michele Compostella authored Jan 17, 2020
  
  9ce3fd91
- Update README.md with possibility to convert the Docker image to other environments. · 11625c0d
  Michele Compostella authored Jan 17, 2020
  
  11625c0d
- Update URL for cloning in README.md · 14ba01f6
  Markus Rampp authored Jan 17, 2020
  
  14ba01f6
16 Jan, 2020 2 commits
- Fixing atom size in the visualization · 82f5979e
  Michele Compostella authored Jan 16, 2020
  
  82f5979e
- Updated header of pca.py · 9010b064
  Michele Compostella authored Jan 16, 2020
  
  9010b064