Merge requests · octopus-code / octopus

Merge trains

Adding an assert to prevent a misuse of the routine.

!192 · created Apr 02, 2018 by Nicolas Tancogne-Dejean develop
- Closed
- 0 of 1 Approvals
updated Apr 02, 2018
fix index error in casida mode

!181 · created Mar 26, 2018 by Sebastian Ohlmann develop
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- 0 of 1 Approvals
updated Mar 26, 2018
The Fermi level is now written and read for the restart informations. This is…

!129 · created Dec 15, 2017 by Nicolas Tancogne-Dejean develop
- Closed
- 2
- 0 of 1 Approvals
updated Mar 24, 2018
Improve the pseudopotential extrapolation

!162 · created Mar 03, 2018 by Xavier Andrade develop
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- 0 of 1 Approvals
updated Mar 22, 2018
Soc test workaround for MPI

!174 · created Mar 21, 2018 by Xavier Andrade develop
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- 0 of 1 Approvals
updated Mar 21, 2018
update subspace diagonalization using ELPA

!148 · created Feb 13, 2018 by Sebastian Ohlmann develop
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- 2
- 0 of 1 Approvals
updated Feb 13, 2018
Fix StatesPack

!93 · created Aug 23, 2017 by Shunsuke A. Sato develop
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- 2
- 0 of 1 Approvals
updated Jan 15, 2018
Changing the default value of RestartWriteInterval to be 250 instead of 50. This…

!124 · created Nov 17, 2017 by Nicolas Tancogne-Dejean develop
- Closed
- 0 of 1 Approvals
updated Nov 17, 2017
interface utility for wannier90

!118 · created Nov 13, 2017 by Hannes Huebener develop
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- 0 of 1 Approvals
updated Nov 14, 2017
Fix gauge

!111 · created Nov 12, 2017 by Umberto De Giovannini develop
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- 0 of 1 Approvals
updated Nov 12, 2017
Time argument

!109 · created Nov 02, 2017 by Alberto develop
Core
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- 0 of 1 Approvals
updated Nov 07, 2017
Output of the spin-revolved current with the option total_current

!106 · created Oct 29, 2017 by Nicolas Tancogne-Dejean develop
- Closed
- 0 of 1 Approvals
updated Oct 29, 2017
Missing push sub

!102 · created Oct 23, 2017 by Nicolas Tancogne-Dejean develop
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- 0 of 1 Approvals
updated Oct 23, 2017
WIP: Fix a bug with SIC OEP for complex wavefunctions.

!55 · created Feb 27, 2017 by Nicolas Tancogne-Dejean develop
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- 2
- 0 of 1 Approvals
updated Mar 15, 2017
Improved option output=current, to avoid computing twice the current if Output=current and TDOutput=total_current options are activated

!44 · created Feb 14, 2017 by Nicolas Tancogne-Dejean develop
- Closed
- 2
- 0 of 1 Approvals
updated Feb 17, 2017
G opt

!48 · created Feb 16, 2017 by Joaquim Jornet Somoza develop
Bug
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- 1
- 0 of 1 Approvals
updated Feb 16, 2017
Revert 249bb8a1

!37 · created Jan 19, 2017 by Alberto develop
- Closed
- 3
- 0 of 1 Approvals
updated Jan 19, 2017
Band structure ok

!36 · created Jan 07, 2017 by Nicolas Tancogne-Dejean develop
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- 1
- 0 of 1 Approvals
updated Jan 11, 2017
Fix symmetries

!26 · created Dec 05, 2016 by Umberto De Giovannini develop
- Closed
- 1
- 0 of 1 Approvals
updated Dec 06, 2016
Increase tolerance

!9 · created Nov 19, 2016 by Shunsuke A. Sato develop
- Closed
- 4
updated Nov 19, 2016