30 Commits

Author	SHA1	Message	Date
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	892d5b4584	Added missing mpiid provider.	2020-03-16 14:26:14 +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 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 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 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	8e909ea5d6	moved all files to src	2016-12-19 23:34:17 +01:00