|
703072 |
Non-orthorhombic cell support in Poisson solver routine
|
2022-09-06 14:08:52 UTC
|
Kristians Kacars |
— |
Solved |
|
|
699356 |
Psppar for B3LYP
|
2021-11-05 03:10:23 UTC
|
Shih-Kai Chou |
— |
Answered |
|
|
696239 |
input.yaml
|
2021-03-25 03:11:52 UTC
|
Huan Tran |
— |
Solved |
|
|
684159 |
situations in graphene system
|
2019-09-23 14:08:08 UTC
|
Jui-Cheng Kao |
— |
Solved |
|
|
681851 |
Computation of the local HGH pseudopotential
|
2019-07-08 12:30:10 UTC
|
Tommi Höynälänmaa |
— |
Answered |
|
|
681284 |
local part potential
|
2019-06-07 15:18:01 UTC
|
Jyh-Pin Chou |
— |
Solved |
|
|
681192 |
K-point energies are not computed
|
2019-06-02 10:26:11 UTC
|
Tommi Höynälänmaa |
— |
Solved |
|
|
680715 |
one & two electron integrals
|
2019-05-09 09:53:56 UTC
|
Alice Hu |
— |
Answered |
|
|
679438 |
non-orthorhombic cell support
|
2019-03-23 01:23:12 UTC
|
Xiaoming Wang |
— |
Solved |
|
|
678155 |
External potential
|
2019-01-28 16:19:44 UTC
|
Jyh-Pin Chou |
Thierry Deutsch
|
Solved |
|
|
677919 |
Full CI calculation
|
2019-01-18 15:07:40 UTC
|
Jyh-Pin Chou |
Thierry Deutsch
|
Solved |
|
|
677868 |
self-interaction correction
|
2019-01-17 16:49:37 UTC
|
Xiaoming Wang |
Thierry Deutsch
|
Solved |
|
|
677384 |
spin-orbit coupling
|
2019-01-07 21:14:42 UTC
|
Xiaoming Wang |
— |
Solved |
|
|
676468 |
One electron computations
|
2018-11-30 13:30:55 UTC
|
Tommi Höynälänmaa |
Thierry Deutsch
|
Solved |
|
|
674499 |
gcc 6.4.0 openmpi 2.1.5 + intel mkl bigdft 1.8.2 soem tests are failed
|
2018-09-29 08:19:12 UTC
|
Junho Lee |
— |
Answered |
|
|
674032 |
How to build only shared libraries?
|
2018-09-16 21:02:35 UTC
|
Yuri |
— |
Answered |
|
|
664505 |
memory usage with linear profile
|
2018-02-17 00:51:19 UTC
|
John Sharley |
— |
Answered |
|
|
664456 |
ImportError: No module named yaml
|
2018-02-16 00:31:38 UTC
|
John Sharley |
— |
Solved |
|
|
664430 |
warnings messages in linear-scaling methanol example
|
2018-02-15 08:02:54 UTC
|
John Sharley |
— |
Answered |
|
|
657849 |
Matrix Density building
|
2017-09-11 09:01:35 UTC
|
Mamy-Rivo |
— |
Solved |
|
|
656812 |
Problem installing on CentOS with gcc 7.1.0
|
2017-08-23 22:32:29 UTC
|
Aleksey Galipchak |
Thierry Deutsch
|
Solved |
|
|
635900 |
BigDFT functionals
|
2017-05-29 03:58:59 UTC
|
Mamy-Rivo |
— |
Solved |
|
|
632947 |
BigDFT Hamiltonian building
|
2017-05-18 12:34:39 UTC
|
Mamy-Rivo |
Thierry Deutsch
|
Solved |
|
|
629894 |
chiroptical properties of periodic systems
|
2017-04-28 07:29:01 UTC
|
mperezjigato |
— |
Answered |
|
|
481573 |
Set occupations in yaml format
|
2017-02-23 20:55:55 UTC
|
Olivier Malenfant-Thuot |
— |
Solved |
|
|
403866 |
compilation problem etsf
|
2016-11-07 19:48:23 UTC
|
sylvian |
— |
Solved |
|
|
403155 |
Change the make -j value in 1.8 install
|
2016-10-18 14:40:11 UTC
|
Mark Filipiak |
— |
Solved |
|
|
403154 |
Change prefix in 1.8 installation
|
2016-10-18 14:37:49 UTC
|
Mark Filipiak |
— |
Solved |
|
|
402287 |
Linking Poisson solver library to CP2k
|
2016-09-26 11:24:16 UTC
|
Juha Ritala |
— |
Solved |
|
|
393637 |
Non-orthorhombic cell support of Poisson solver
|
2016-09-13 10:44:57 UTC
|
Juha Ritala |
— |
Solved |
|
|
295768 |
Compiling BigDFT on Lonestar 5
|
2016-06-29 13:36:04 UTC
|
Ali |
— |
Answered |
|
|
293655 |
Optimizing the structure in gas phase and Solvent
|
2016-05-13 10:36:41 UTC
|
Asif Iqbal |
— |
Solved |
|
|
293654 |
Choosing hgrid parameter
|
2016-05-13 10:22:10 UTC
|
Asif Iqbal |
— |
Answered |
|
|
292215 |
BigDFT API MPI question
|
2016-04-25 15:24:51 UTC
|
Jean-François Joly |
— |
Answered |
|
|
291137 |
Problem with hydrogen molecule ion
|
2016-04-15 12:52:47 UTC
|
Tommi Höynälänmaa |
— |
Solved |
|
|
272617 |
Changing system specification in-code (api question)
|
2015-10-19 19:33:43 UTC
|
Jean-François Joly |
— |
Answered |
|
|
271748 |
problem with band structure calculation
|
2015-09-24 13:08:02 UTC
|
Dirk Ziemann |
— |
Answered |
|
|
268612 |
problem with the atom program
|
2015-06-27 15:19:19 UTC
|
Pavel |
— |
Answered |
|
|
267129 |
Problems with OpenCL
|
2015-05-19 16:42:18 UTC
|
Jean-François Joly |
— |
Answered |
|
|
265009 |
download does not work
|
2015-04-11 18:58:16 UTC
|
Manuel Perez Jigato |
— |
Answered |
|
|
258706 |
psppar file to use with Hartree-Fock calculations
|
2014-12-06 13:11:55 UTC
|
Tommi Höynälänmaa |
— |
Solved |
|
|
257972 |
Hybrid Functionals question
|
2014-11-20 15:49:55 UTC
|
Jean-François Joly |
— |
Answered |
|
|
256360 |
API tutorial
|
2014-10-29 16:26:36 UTC
|
Jean-François Joly |
— |
Solved |
|
|
254943 |
Hydrogen computation does not get accurate enough
|
2014-09-24 13:02:37 UTC
|
Tommi Höynälänmaa |
— |
Solved |
|
|
254015 |
Helium computation behaves strangely
|
2014-09-03 13:11:57 UTC
|
Tommi Höynälänmaa |
— |
Solved |
|
|
238767 |
Non-orthorhombic cells
|
2013-11-06 15:07:45 UTC
|
David Tompsett |
— |
Answered |
