LCPQ
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DEHam
mirror of https://github.com/LCPQ/DEHam
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81 Commits

Author SHA1 Message Date
Anthony Scemama 77544920f2
Merge pull request #3 from v1j4y/master 
Merge
 2020-03-17 17:48:41 +01:00
vijay gopal chilkuri 8166147ea5 Update readme. 2020-03-17 11:08:38 +01:00
vijay gopal chilkuri c87f7b6fff Update readme. 2020-03-17 11:00:50 +01:00
vijay gopal chilkuri 62d820b64f Added image and updated readme. 2020-03-17 10:57:10 +01:00
vijay gopal chilkuri 6a58cff064 Added a notebook with the theory for the tJ model. 2020-03-17 10:45:45 +01:00
vijay gopal chilkuri 9a0c3935fa Added warning for when the number of extradiagonal terms exceeds the max value. 2020-03-17 10:44:50 +01:00
v1j4y c9b118d0c9 update README. 2020-03-16 14:29:35 +01:00
v1j4y 892d5b4584 Added missing mpiid provider. 2020-03-16 14:26:14 +01:00
v1j4y 0e49542e85 Added tJ model examples. 2020-03-16 14:23:57 +01:00
v1j4y d132ca4a10 Merge branch 'master' of https://github.com/v1j4y/DEHam 2020-03-16 14:01:32 +01:00
v1j4y aec246a7c9 Added some improvements to printing by adding mpiid. Printing is now done only by the master. 2020-03-16 14:00:26 +01:00
vijay f22adef218
Update README.md 2020-03-13 09:05:33 +01:00
v1j4y fe70ca64c0 Updated README.md with the full file format. 2020-03-12 21:52:28 +01:00
v1j4y b5393e29ee Now runs on the clusters at Toulouse. 2020-03-12 21:34:27 +01:00
vijay gopal chilkuri 032a8b4476 added more examples. 2020-03-06 11:36:30 +01:00
Anthony Scemama 27f031d20c
Merge pull request #2 from v1j4y/master 
Merge Vijay
 2020-03-05 15:42:32 +01:00
vijay gopal chilkuri 479138bdb9 Updated readme. 2020-03-05 15:30:27 +01:00
vijay gopal chilkuri 20390f5ad5 Fixed issues with OSX and int to real conversion (nt1 and nt2) now compiles and runs on osx. Added two examples 2020-03-05 15:25:26 +01:00
vijay ac24dd6dc1
Update README.md 2020-02-21 14:26:29 +01:00
vijay gopal chilkuri c8e6e61603 many new features: 
1. added wf printing support
2. fixed problem with factorial calculation
 2018-01-29 16:21:56 +01:00
vijay gopal chilkuri aeabef5ded looks like now it works for natom > 16 2018-01-29 00:10:47 +01:00
vijay gopal chilkuri 2262d8dce6 removed ntot from read2 2018-01-28 18:44:56 +01:00
vijay gopal chilkuri 900765665f now calculates ntot automatically 2018-01-28 18:41:28 +01:00
vijay gopal chilkuri 9ebcefaa84 now s2 is correct and everything looks good 2018-01-28 12:20:24 +01:00
vijay gopal chilkuri 55e106f53d now compiles but bug in the calculation of s2 2018-01-28 11:16:22 +01:00
vijay gopal chilkuri 62dba9a3c5 now limit the hole movement by giving range 2018-01-28 11:05:08 +01:00
vijay gopal chilkuri 3278aabfeb updating code to the current local version, it might not compile atm. 
Many new features added:
1. getting S2 values
2. possibility of setting position of hole
3. possibility of setting Sbox
4. three Sbox definitions at once
5. Doing only FAM1 or the full set of states
6. efficiency improvements
 2018-01-27 12:41:48 +01:00
vijay d1d6eae91d
mistake in description of inputfile 2018-01-26 13:38:55 +01:00
vijay 4fe71bb862
fix a spelling mistake 2018-01-26 13:15:45 +01:00
vijay 198aa1bf4f
cosmetics 2018-01-26 13:12:50 +01:00
vijay 2e6f7d646e
add new input file features 2018-01-26 13:12:12 +01:00
vijay 0526613506
Update README.md 2018-01-15 23:30:38 +01:00
vijay f13054d927
removed tabs after merge 2018-01-15 16:43:52 +01:00
vijay 91471cf823
Merge pull request #2 from Bouammali-MA/patch-2 
Update of Read.md file
 2018-01-15 16:42:48 +01:00
vijay 2a72a065eb
Merge branch 'master' into patch-2 2018-01-15 16:42:28 +01:00
vijay f3a56703ec
Merge branch 'master' into patch-2 2018-01-15 16:37:59 +01:00
vijay 5357361c12
cosmetics 2018-01-15 12:47:44 +01:00
vijay 31c7aa2694
export path for c compiler 2018-01-15 12:41:40 +01:00
Bouammali-MA daa2efc254
Update of Read.md file 
Addition of two lines 25 and 26. for solving C leading files path. and comment during export for process
 2018-01-15 12:37:44 +01:00
vijay 52d361438b
Merge pull request #1 from Bouammali-MA/patch-1 
Makefile Update
 2018-01-15 12:35:56 +01:00
Bouammali-MA 4e5e4f36ec
Makefile Update 
added in line 27 IRPF90_temp/ knowing that the requsted file should be in that directory.
 2018-01-15 12:31:03 +01:00
vijay gopal chilkuri 934b7494e0 looks like its working with 1 proc 2016-12-21 19:09:11 +01:00
vijay gopal chilkuri 04acb8af41 working on density matrix 2016-12-21 18:43:41 +01:00
vijay gopal chilkuri 86b4621ea9 printing energies and s2 together 2016-12-21 17:49:39 +01:00
vijay gopal chilkuri 260daba4b2 removed redundant printing 2016-12-21 17:42:56 +01:00
vijay gopal chilkuri 9a7a10c37e now S2 is working 2016-12-21 17:41:39 +01:00
vijay gopal chilkuri 4d6525ecf7 still working on the bug 2016-12-21 14:40:34 +01:00
vijay gopal chilkuri 98dfbf4071 add S2 functionality but looks like theres a bug 2016-12-21 14:21:38 +01:00
vijay gopal chilkuri 9b3570c1ba now gets the determinant for a given adress 2016-12-21 13:59:01 +01:00
vijay gopal chilkuri 25451a4c9b add error checking 2016-12-21 13:33:13 +01:00