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c8e6e61603
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Author SHA1 Message Date
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
vijay gopal chilkuri
146030b8b9 now gets the determinant for a given adress 2016-12-21 13:08:15 +01:00
vijay gopal chilkuri
42ceea2ae9 now reads local values of eigenvector 2016-12-21 12:17:40 +01:00
vijay gopal chilkuri
39996be82e add error checking 2016-12-21 11:56:39 +01:00
vijay gopal chilkuri
5185407a4c values instead 2016-12-21 11:55:04 +01:00
vijay gopal chilkuri
2ca11527b5 add header to manipulate vectors 2016-12-21 11:54:14 +01:00
vijay gopal chilkuri
098f2bbdec trying to read array elements 2016-12-21 11:53:13 +01:00
vijay gopal chilkuri
85b10c2f62 added calculation of norm of resulting eigenvector 2016-12-21 11:41:15 +01:00
v1j4y
ee3afdd71e modified makefile to seperate into bin and lib dirs also now added neigenvalues option 2016-12-20 16:02:23 +01:00
vijay gopal chilkuri
a907d1a5fe added zenodo doi 2016-12-20 13:09:46 +01:00
vijay gopal chilkuri
d848afdba8 link should work now 2016-12-20 13:07:46 +01:00
vijay gopal chilkuri
8609f83da1 corrected link 2016-12-20 13:06:26 +01:00
vijay gopal chilkuri
e43d147c0f added publication 2016-12-20 13:05:02 +01:00
vijay gopal chilkuri
e669671ded general gcc version 2016-12-20 12:46:20 +01:00
vijay gopal chilkuri
1e6434c2e6 added clause 2016-12-20 12:38:03 +01:00
vijay gopal chilkuri
b71146a714 added licence file 2016-12-20 12:37:30 +01:00
vijay gopal chilkuri
83e44e9258 now trying with indentation 2016-12-20 12:29:39 +01:00
vijay gopal chilkuri
47e58159f2 still not working 2016-12-20 12:24:32 +01:00
vijay gopal chilkuri
1bfa87c73c list not working 2016-12-20 12:23:59 +01:00
vijay gopal chilkuri
a1997948e2 replaced dots with spaces 2016-12-20 12:23:07 +01:00