Merge requests · Electronic Structure Library / pspio

Add initial support for CASTEP / ONETEP file format

!38 · created Nov 19, 2018 by Damien Caliste master
- 4
updated Nov 27, 2018
Implement API for not diagonal Dij terms, implement it for UPF.

!37 · created Mar 02, 2018 by Damien Caliste master
- MERGED
- 4
updated Mar 06, 2018
Update UPF reader to accept new format with XML attributes.

!36 · created Feb 26, 2018 by Damien Caliste master
- MERGED
- 8
updated Mar 01, 2018
Correct the error string conversion in Fortran.

!35 · created Feb 26, 2018 by Damien Caliste master
- MERGED
- 0
updated Feb 26, 2018
Release 0.2.4

!34 · created Feb 13, 2018 by Micael Oliveira master
- MERGED
- 0
updated Feb 13, 2018
Bump version number.

!33 · created Feb 13, 2018 by Micael Oliveira
- MERGED
- 0
updated Feb 13, 2018
Resolve "nelvalence should always be set"

!32 · created Feb 13, 2018 by Micael Oliveira
- MERGED
- 0
updated Feb 13, 2018
Resolve "The build system does not set library flags of LibXML2 and GSL for pkg-config"

!31 · created Feb 12, 2018 by Yann Pouillon
- MERGED
- 0
updated Feb 22, 2018
Resolve "Add support for Abinit format 8"

!30 · created Feb 12, 2018 by Yann Pouillon
updated Feb 12, 2018
Release 0.2.3

!29 · created Feb 12, 2018 by Micael Oliveira master
- MERGED
- 0
updated Feb 12, 2018
Release 0.2.3

!28 · created Feb 12, 2018 by Micael Oliveira
- MERGED
- 0
updated Feb 12, 2018
Add missing public declaration.

!27 · created Feb 12, 2018 by Micael Oliveira
- MERGED
- 0
updated Feb 12, 2018
Add a getter for the wavefunction in pspio_state.

!26 · created Feb 12, 2018 by Micael Oliveira
- MERGED
- 0
updated Feb 12, 2018
[ci] initial commit

!25 · created Feb 12, 2018 by Alin Marin Elena
- MERGED
- 0
updated Feb 12, 2018
Resolve "Relicense under MPLv2"

!24 · created Feb 10, 2018 by Yann Pouillon
- MERGED
- 0
updated Feb 10, 2018
Sync master

!23 · created Feb 10, 2018 by Yann Pouillon
- MERGED
- 0
updated Feb 10, 2018
Installing a pkg-config file

!22 · created Feb 09, 2018 by Yann Pouillon master
- MERGED
- 0
updated Feb 09, 2018
Imported the AX_PTHREAD M4 macro into the build system

!21 · created Feb 07, 2018 by Yann Pouillon
- MERGED
- 0
updated Feb 07, 2018
Use proper ordering when calling projector copy from Fortran, fixes #35.

!20 · created Feb 02, 2018 by Damien Caliste master
- MERGED
- 0
updated Feb 07, 2018
Add assertion on index when accessing array elements, fixes #33.

!19 · created Feb 02, 2018 by Damien Caliste master
- MERGED
- 0
updated Feb 07, 2018