Commits · master · Electronic Structure Library / omm-bundle

21 Jun, 2022 1 commit

Merge branch '12-replace-subdirectories-by-git-submodules' into 'master' · d385005d

Irina Lebedeva authored Jun 21, 2022

Resolve "Replace subdirectories by Git submodules"

Closes #12

See merge request ElectronicStructureLibrary/omm/omm-bundle!20

d385005d

20 Jun, 2022 10 commits
- Add LIBXSMM as a submodule · 063b84b7
  Yann Pouillon authored Jun 20, 2022
  
  063b84b7
- Add DBCSR as a submodule · 20988209
  Yann Pouillon authored Jun 20, 2022
  
  20988209
- Add TOMATO as a submodule · 5ddf3a43
  Yann Pouillon authored Jun 20, 2022
  
  5ddf3a43
- Add libOMM as a submodule · 8418b9a9
  Yann Pouillon authored Jun 20, 2022
  
  8418b9a9
- Add MatrixSwitch as a submodule · 5bcf9dbb
  Yann Pouillon authored Jun 20, 2022
  
  5bcf9dbb
- Add pspBLAS as a submodule · 6557f128
  Yann Pouillon authored Jun 20, 2022
  
  6557f128
- Remove the tomato subdirectory · cf9396cb
  Yann Pouillon authored Jun 20, 2022
  
  cf9396cb
- Remove the libOMM subdirectory · 80e962ce
  Yann Pouillon authored Jun 20, 2022
  
  80e962ce
- Remove the MatrixSwitch subdirectory · d678c624
  Yann Pouillon authored Jun 20, 2022
  
  d678c624
- Remove the pspBLAS subdirectory · b43b7105
  Yann Pouillon authored Jun 20, 2022
  
  b43b7105
14 Jun, 2022 1 commit

Merge branch... · 56abb102

Yann Pouillon authored Jun 14, 2022

Merge branch '11-improve-the-use-of-memory-in-libomm-and-matrixswitch-when-working-with-sparse-matrices' into 'master'

Resolve "Improve the use of memory in libOMM and MatrixSwitch when working with sparse matrices"

Closes #11

See merge request ElectronicStructureLibrary/omm-bundle!19

56abb102

13 Jun, 2022 1 commit
- Cleaning omm_callback · e5a76312
  Irina Lebedeva authored Jun 13, 2022
  
  e5a76312
29 Apr, 2022 1 commit
- Update omm_callback · a023d9f4
  Irina Lebedeva authored Apr 29, 2022
  
  a023d9f4
26 Apr, 2022 3 commits
- Recalculating HW, SW and SC for each k-point · 33f6d510
  Irina Lebedeva authored Apr 26, 2022
  
  33f6d510
- Added comment · 0c3ea0ac
  Irina Lebedeva authored Apr 26, 2022
  
  0c3ea0ac
- Fixing memory leak: deallocating allocated pointer · 004b3367
  Irina Lebedeva authored Apr 26, 2022
  
  004b3367
16 Apr, 2022 2 commits
- Fixing use of SC and HC · 1846b76b
  Irina Lebedeva authored Apr 16, 2022
  
  1846b76b
- Using dbcsr_clear to set matrices empty and imposing sparsity on G during its calculation · 5cbcb62a
  Irina Lebedeva authored Apr 16, 2022
  
  5cbcb62a
15 Apr, 2022 4 commits
- small correction · d27480e5
  Irina Lebedeva authored Apr 15, 2022
  
  d27480e5
- Updating callback · 1b1572da
  Irina Lebedeva authored Apr 15, 2022
  
  1b1572da
- Updating SW should be done even if S has not changed · 9031f7b9
  Irina Lebedeva authored Apr 15, 2022
  
  9031f7b9
- Fixing the use of first_call and init_C · 69df8182
  Irina Lebedeva authored Apr 15, 2022
  
  69df8182
14 Apr, 2022 3 commits
- Updating callback · 7911018a
  Irina Lebedeva authored Apr 14, 2022
  
  7911018a
- Added comment · 5e51f89d
  Irina Lebedeva authored Apr 14, 2022
  
  5e51f89d
- m_copy works worse than m_add, changing back · 6df55809
  Irina Lebedeva authored Apr 13, 2022
  
  6df55809
13 Apr, 2022 3 commits
- Extending comments · 9914304b
  Irina Lebedeva authored Apr 13, 2022
  
  9914304b
- Small details · f2174daa
  Irina Lebedeva authored Apr 13, 2022
  
  f2174daa
- Fixing sparsity of several matrices · 3600ed6f
  Irina Lebedeva authored Apr 13, 2022
  
  3600ed6f
12 Apr, 2022 2 commits
- Fixing calculation of the total charge · c05517ca
  Irina Lebedeva authored Apr 12, 2022
  
  c05517ca
- Improving handling sparsity and updating callback in omm · c1775aeb
  Irina Lebedeva authored Apr 12, 2022
  
  c1775aeb
11 Apr, 2022 3 commits
- Imposing the sparsity directly through DBCSR · 255539a2
  Irina Lebedeva authored Apr 11, 2022
  
  255539a2
- Imposing the sparsity directly through DBCSR · 77d590a8
  Irina Lebedeva authored Apr 11, 2022
  
  77d590a8
- Imposing sparsity on energy density · f48862bf
  Irina Lebedeva authored Apr 11, 2022
  
  f48862bf
24 Feb, 2022 1 commit

Merge branch 'omm-drand-fix' into 'master' · 0f863b21

Yann Pouillon authored Feb 24, 2022

Replace non-standard rand() by random_number in MS example

See merge request ElectronicStructureLibrary/omm-bundle!18

0f863b21

10 Feb, 2022 1 commit
- Replace non-standard rand() by random_number in MS example · 7d15cc06
  Alberto Garcia authored Nov 03, 2021
  
  7d15cc06
27 Jan, 2022 3 commits
- Merge branch '8-omm-tests-fail-without-dbcsr' into 'master' · 5cceb568
  Yann Pouillon authored Jan 27, 2022
```
Resolve "OMM tests fail without DBCSR"

Closes #8

See merge request ElectronicStructureLibrary/omm-bundle!16
```
  5cceb568
- Make the program die if run-time paremeters don't match build-time ones · 4a09745b
  Yann Pouillon authored Jan 27, 2022
  
  4a09745b
- Merge branch '8-mpi-fixes' into '8-omm-tests-fail-without-dbcsr' · 747eb7a2
  Yann Pouillon authored Jan 27, 2022
```
Resolve MPI compilation problems

See merge request ElectronicStructureLibrary/omm-bundle!17
```
  747eb7a2
18 Jan, 2022 1 commit
- Fix the compilation of libOMM examples · 6d43dc40
  Yann Pouillon authored Jan 18, 2022
  
  6d43dc40