Commits · 0.1.0 · Ben Hourahine / elsi_rci

24 Oct, 2019 1 commit
- Added test cases. Unfortunately, iterative methods cannot converge in such a... · a6fd1e54
  Yingzhou Li authored Oct 24, 2019
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Added test cases. Unfortunately, iterative methods cannot converge in such a short time, we did not test on the accuracy
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  a6fd1e54
16 Oct, 2019 21 commits
- Update source files · 0ed84948
  Victor Yu authored Oct 16, 2019
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* Change 2018 to 2019 in header
* Convert a few dos files to unix
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  0ed84948
- Updated README · a37463ec
  Yingzhou Li authored Oct 15, 2019 and Victor Yu committed Oct 16, 2019
  
  a37463ec
- Add a pkgconfig file · f0bca437
  Victor Yu authored Oct 16, 2019
  
  f0bca437
- Update GitLab CI · 34cd69de
  Victor Yu authored Aug 20, 2018
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* Intel MKL is currently needed for both CI jobs.
* MPI is currently not needed.
* Add Davidson as the first test.
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  34cd69de
- Updated documentation · d086308a
  Yingzhou Li authored Oct 15, 2019 and Victor Yu committed Oct 16, 2019
  
  d086308a
- Added omm estimated upper bound in function and modified documentation accordingly · 8489f58b
  Yingzhou Li authored Aug 23, 2019 and Victor Yu committed Oct 16, 2019
  
  8489f58b
- Added KSSOLV matrices · d80714fa
  Yingzhou Li authored Aug 23, 2019 and Victor Yu committed Oct 16, 2019
  
  d80714fa
- Added functionality of unit overlapping matrix · 2c52336a
  Yingzhou Li authored Aug 23, 2019 and Victor Yu committed Oct 16, 2019
  
  2c52336a
- Revert Chebfilter back · 0c77c087
  Yingzhou Li authored Aug 23, 2019 and Victor Yu committed Oct 16, 2019
  
  0c77c087
- Updated overlap matrix in Chebfilter · 15cd905a
  Yingzhou Li authored Jun 28, 2019 and Victor Yu committed Oct 16, 2019
  
  15cd905a
- Added HEEV for unit overlapping matrix · 49e19d71
  Yingzhou Li authored Jun 28, 2019 and Victor Yu committed Oct 16, 2019
  
  49e19d71
- Fixed a compiling issue of Fortran · 27be7aa3
  Yingzhou Li authored Jun 28, 2019 and Victor Yu committed Oct 16, 2019
  
  27be7aa3
- First draft for documentation · 81de9679
  Yingzhou Li authored Apr 25, 2019 and Victor Yu committed Oct 16, 2019
  
  81de9679
- Revised code together with the corresponding part in doc · 04e65693
  Yingzhou Li authored Apr 24, 2019 and Victor Yu committed Oct 16, 2019
  
  04e65693
- Updated manual · 973ee4bc
  Yingzhou Li authored Apr 24, 2019 and Victor Yu committed Oct 16, 2019
  
  973ee4bc
- Added a documentation file, revised documentation up to Chapter 2 · c3c0de81
  Yingzhou Li authored Feb 21, 2019 and Victor Yu committed Oct 16, 2019
  
  c3c0de81
- Implemented Locking technique in Chebyshev Filter · 74269d09
  Yingzhou Li authored Dec 12, 2018 and Victor Yu committed Oct 16, 2019
  
  74269d09
- Fixed a bug in ChebFilter and updated test drivers · f47ea95d
  Yingzhou Li authored Dec 12, 2018 and Victor Yu committed Oct 16, 2019
  
  f47ea95d
- Added Chebyshev Filtering Method · 9014c7af
  Yingzhou Li authored Nov 15, 2018 and Victor Yu committed Oct 16, 2019
  
  9014c7af
- Updated compling system and add a PW matrix · 209b1d00
  Yingzhou Li authored Nov 15, 2018 and Victor Yu committed Oct 16, 2019
  
  209b1d00
- Separate RCI from main ELSI repo · 1a9ab1ff
  Victor Yu authored Oct 16, 2019
  
  1a9ab1ff
16 Aug, 2018 1 commit
- Added csc, and omm cubic routine, also updated the convergence critia for PPCG · c23265a7
  Yingzhou Li authored Aug 15, 2018
  
  c23265a7
14 Aug, 2018 5 commits
- Updated the directions in OMM · 52d540a1
  Yingzhou Li authored Aug 14, 2018
  
  52d540a1
- Switched to cubic line search · ae048eb7
  Yingzhou Li authored Aug 14, 2018
  
  ae048eb7
- Removed extra printout in ppcg. OMM converges slow · 8b897bd3
  Yingzhou Li authored Aug 14, 2018
  
  8b897bd3
- Removed cubic linesearch in OMM · 73d43c16
  Yingzhou Li authored Aug 14, 2018
  
  73d43c16
- Tried cubic line search · 2d2a41b7
  Yingzhou Li authored Aug 14, 2018
  
  2d2a41b7
13 Aug, 2018 3 commits
- Added preconditioner · 42ce8d6b
  Yingzhou Li authored Aug 12, 2018
  
  42ce8d6b
- Added verbose for all rci methods · 45b29a8e
  Yingzhou Li authored Aug 12, 2018
  
  45b29a8e
- Added verbose · ddbf5424
  Yingzhou Li authored Aug 13, 2018
  
  ddbf5424
09 Aug, 2018 1 commit
- Updated davidson proj · 21f760aa
  Yingzhou Li authored Aug 09, 2018
  
  21f760aa
05 Aug, 2018 3 commits
- Debuged Complex case · 82843349
  Yingzhou Li authored Aug 05, 2018
  
  82843349
- Updated Davidson to be robost to the number of basis · de4cd6bc
  Yingzhou Li authored Aug 04, 2018
  
  de4cd6bc
- Updated rci reading matrix and OMM output eigenvalues · 8f23ac57
  Yingzhou Li authored Aug 04, 2018
  
  8f23ac57
04 Aug, 2018 1 commit
- Debugged PPCG · ccf43c07
  Yingzhou Li authored Aug 04, 2018
  
  ccf43c07
27 Jul, 2018 1 commit
- Added the first version of PPCG · 58993d35
  Yingzhou Li authored Jul 27, 2018
  
  58993d35
25 Jul, 2018 1 commit
- Reorganized files to match the master branch structure · 05750e15
  Yingzhou Li authored Jul 25, 2018
  
  05750e15