Timeline


and

2016-09-07:

22:23 Changeset [1891] by mahe
Bug fix: 1. Context for MPI communication of external potential is …
16:57 Changeset [1890] by fgygi
Keep print statements only if DEBUG defined
00:11 WikiStart edited by fgygi
(diff)
00:10 ReleaseNotes edited by fgygi
(diff)

2016-09-06:

23:48 Changeset [1889] by fgygi
rel1_63_5
23:47 Changeset [1888] by fgygi
rel1_63_5
23:45 Changeset [1887] by fgygi
Update notes
23:33 Changeset [1886] by fgygi
Fix coefficients of divergence correction div_corr_1 when using spin …
22:37 Changeset [1885] by fgygi
fix unused variable

2016-09-05:

03:24 Changeset [1884] by mahe
1. New functionality: 1.1. Multiple options added to response …

2016-09-03:

19:20 Changeset [1883] by fgygi
add xyz2qbox.py script
19:06 Changeset [1882] by fgygi
rel1_63_4_vext2

2016-09-01:

20:42 Changeset [1881] by fgygi
Add qbox_eig.py: extract eigenvalues from output

2016-08-31:

21:46 gs.r attached to C60molecule by fgygi
Output file for C60 ground state calculation
21:36 gs.i attached to C60molecule by fgygi
Input file for C60 ground state calculation
21:33 c60.i attached to C60molecule by fgygi
Unit cell definition and atomic positions for C60 ground state calculation
21:29 C60molecule edited by fgygi
(diff)
19:53 C60molecule created by fgygi
04:02 H2O64 edited by fgygi
(diff)
03:55 Examples edited by fgygi
(diff)

2016-08-30:

01:48 Changeset [1880] by fgygi
Delete vext at end of response calculation.
01:25 Changeset [1879] by fgygi
Modified vext implementation.

2016-08-25:

17:58 Ticket #15 (Exchange energy is incorrect when using nspin=2 and kpoints) created by fgygi
The exchange energy is incorrect when using multiple kpoints and nspin=2.

2016-08-22:

21:07 Ticket #14 (Vext implementation) created by fgygi
Implementation of the external potential interface.
20:01 Changeset [1878] by fgygi
include mahe-2016-08-17.diff
19:57 Changeset [1877] by fgygi
Fix test for printing of usage message.
15:44 Changeset [1876] by fgygi
reset release to 1.63.4_vext
15:40 Changeset [1875] by fgygi
Reorder addCmd statements
15:39 Changeset [1874] by fgygi
Fix comment

2016-08-21:

22:48 Changeset [1873] by fgygi
rel1_63_4_vext1
22:47 Changeset [1872] by fgygi
update release to 1.63.4_vext1

2016-08-18:

19:08 Ticket #13 (etotal_int incorrect when using k-points) closed by fgygi
fixed
18:58 Changeset [1871] by fgygi
Fix k-point weight in calculation of etotal_int

2016-08-17:

19:53 Ticket #13 (etotal_int incorrect when using k-points) created by fgygi
The value of <etotal_int> printed on output is incorrect when using …
19:07 Changeset [1870] by fgygi
fix redefinition of k variable in loop

2016-08-13:

00:22 Changeset [1869] by fgygi
Removed blanks from timing name attribute to enable XPath extraction.

2016-08-10:

21:01 Changeset [1868] by fgygi
Fix folding of dipole differences into unit cell
20:45 Changeset [1867] by fgygi
Fix typo in a_aniso tag
18:58 Changeset [1866] by fgygi
Added a_iso and a_aniso output in ResponseCmd.C
16:41 Ticket #12 (JD algorithm fails on h2o32) created by fgygi
The wf_dyn = JD algorithm fails to converge in a ground state …
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