Commits · master · Jurij Sablic / E-CAM-Library

30 Mar, 2021 1 commit

Update... · 4fb8f877

Alan O'Cais authored Mar 30, 2021

Update Meso-Multi-Scale-Modelling-Modules/modules/Lattice_Boltzmann/external_chemical_potential_gradient/readme.rst, Meso-Multi-Scale-Modelling-Modules/modules/Lattice_Boltzmann/crystalline_capillaries/readme.rst files
Deleted .gitignore

4fb8f877

15 Mar, 2021 2 commits
- Fix merge conflict leftovers · 3da9a290
  Alan O'Cais authored Mar 15, 2021
  
  3da9a290
- resolving conflict · b17a4467
  Jurij Sablic authored Mar 15, 2021
  
  b17a4467
12 Mar, 2021 6 commits
- Merge branch 'learnhpc_gpu' into 'master' · 0b118f9d
  Alan O'Cais authored Mar 12, 2021
```
Add EESSI and general vGPU support to Magic Castle

See merge request e-cam/E-CAM-Library!303
```
  0b118f9d
- Merge remote-tracking branch 'upstream/master' into learnhpc_gpu · 50e6c855
  Alan O'Cais authored Mar 12, 2021
  
  50e6c855
- Merge branch 'eessi_gromacs' into 'master' · bcc6cc24
  Alan O'Cais authored Mar 12, 2021
```
Add EESSI singularity module

See merge request e-cam/E-CAM-Library!302
```
  bcc6cc24
- Add EESSI and general vGPU support to Magic Castle · 5b2d7666
  Alan O'Cais authored Mar 12, 2021
  
  5b2d7666
- Merge branch 'Quantics_DD_MPIOMP' into 'master' · 54f400e2
  Jony Castagna authored Mar 12, 2021
```
Module_Quantics_DD_MPIOMP

See merge request e-cam/E-CAM-Library!162
```
  54f400e2
- Add additional details about how to find software · 9f9fcce8
  Alan O'Cais authored Mar 12, 2021
  
  9f9fcce8
11 Mar, 2021 17 commits
- Typo · 78e63a1b
  Alan O'Cais authored Mar 11, 2021
  
  78e63a1b
- Add to TOC tree · ed9271a1
  Alan O'Cais authored Mar 11, 2021
  
  ed9271a1
- Add EESSI singularity module · 93531cd2
  Alan O'Cais authored Mar 11, 2021
  
  93531cd2
- Merge branch 'ocaisa-master-patch-58277' into 'master' · 795b6c77
  Alan O'Cais authored Mar 11, 2021
```
Update Classical-MD-Modules/index.rst,...

See merge request e-cam/E-CAM-Library!301
```
  795b6c77
- Update Classical-MD-Modules/index.rst,... · 814f9cae
  Alan O'Cais authored Mar 11, 2021
```
Update Classical-MD-Modules/index.rst, Classical-MD-Modules/modules/n2p2/n2p2_training_size/readme.rst files
```
  814f9cae
- Merge branch 'n2p2_training_size' into 'master' · 781cb945
  Alan O'Cais authored Mar 11, 2021
```
Module: n2p2: Tools For Training Set Size Dependence

See merge request e-cam/E-CAM-Library!136
```
  781cb945
- Update readme.rst · 4c506eee
  Alan O'Cais authored Mar 11, 2021
  
  4c506eee
- Update index.rst · 24c9b307
  Alan O'Cais authored Mar 11, 2021
  
  24c9b307
- Merge branch 'openpigs' into 'master' · c732149a
  Alan O'Cais authored Mar 11, 2021
```
Module: Python bindings for running PIGS in OpenMM

See merge request e-cam/E-CAM-Library!133
```
  c732149a
- Merge branch 'n2p2_symfunc_param_generator' into 'master' · f01f35b8
  Alan O'Cais authored Mar 11, 2021
```
Module: n2p2: Symmetry Function Parameter Generator

See merge request e-cam/E-CAM-Library!137
```
  f01f35b8
- Update module from project repo to finalise module · 10b83b42
  Alan O'Cais authored Mar 11, 2021
  
  10b83b42
- Fixed path to readme · 0e9f9941
  Andreas Singraber authored Mar 11, 2021
  
  0e9f9941
- Fixed minor issues · 5d0667c8
  Andreas Singraber authored Mar 11, 2021
  
  5d0667c8
- Merge branch 'master' of ssh://gitlab.e-cam2020.eu:10022/e-cam/E-CAM-Library... · 6e579c0a
  Andreas Singraber authored Mar 11, 2021
```
Merge branch 'master' of ssh://gitlab.e-cam2020.eu:10022/e-cam/E-CAM-Library into n2p2_symfunc_param_generator
```
  6e579c0a
- Fixed spelling error · 61aaffc9
  Andreas Singraber authored Mar 11, 2021
  
  61aaffc9
- Fixed links in readme, added some build info · 55589485
  Andreas Singraber authored Mar 11, 2021
  
  55589485
- Merge branch 'master' of ssh://gitlab.e-cam2020.eu:10022/e-cam/E-CAM-Library... · 840f4d24
  Andreas Singraber authored Mar 11, 2021
```
Merge branch 'master' of ssh://gitlab.e-cam2020.eu:10022/e-cam/E-CAM-Library into n2p2_training_size
```
  840f4d24
08 Mar, 2021 7 commits
- Include new module in ToC · be97cc96
  Alan O'Cais authored Mar 08, 2021
  
  be97cc96
- Merge branch 'new_module_psolver_integration' into 'master' · 2bb1e38e
  Alan O'Cais authored Mar 08, 2021
```
Add a module for the integration of PSolver in SIESTA and Octopus

See merge request e-cam/E-CAM-Library!268
```
  2bb1e38e
- Minor updates · 893876b2
  Alan O'Cais authored Mar 08, 2021
  
  893876b2
- Merge branch 'new_module_libxc_gga_mgga_in_fhi_aims' into 'master' · 0965cec4
  Alan O'Cais authored Mar 08, 2021
```
Add a module about the integration of Libxc in FHI-AiMS

See merge request e-cam/E-CAM-Library!269
```
  0965cec4
- Add module to index · b1066939
  Alan O'Cais authored Mar 08, 2021
  
  b1066939
- Update readme.rst · 5382f883
  Alan O'Cais authored Mar 08, 2021
  
  5382f883
- Minor updates · 15924d79
  Alan O'Cais authored Mar 08, 2021
  
  15924d79
05 Mar, 2021 6 commits
- Update readme.rst · 767d2aa7
  Alan O'Cais authored Mar 05, 2021
  
  767d2aa7
- Update index.rst · 6bc786e9
  Alan O'Cais authored Mar 05, 2021
  
  6bc786e9
- Update index.rst · 01105b03
  Alan O'Cais authored Mar 05, 2021
  
  01105b03
- Merge branch 'update_spring_docs' into 'master' · 851d23d3
  Alan O'Cais authored Mar 05, 2021
```
update docs to represent that springshooting has been merged in OPS core

See merge request e-cam/E-CAM-Library!300
```
  851d23d3
- update docs to represent that springshooting has been merged in OPS core · 93a005f4
  Sander Roet authored Mar 05, 2021 and Alan O'Cais committed Mar 05, 2021
  
  93a005f4
- Merge branch 'update_moldip_af_dlmeso_dpd' into 'master' · bcb5c0f2
  Alan O'Cais authored Mar 05, 2021
```
Updated source code for gen_moldipaf.f90 (previously missed this!)

See merge request e-cam/E-CAM-Library!299
```
  bcb5c0f2
02 Mar, 2021 1 commit
- Merge commit '86be1a61 ' into update_moldip_af_dlmeso_dpd · b019801d
  Michael Seaton authored Mar 02, 2021
  
  b019801d