Libpspio

Libpspio 0.2.0

Support for the following pseudopotential formats:
  * Abinit 5;
  * Abinit 6;
  * Siesta PSF;
  * QE UPF 1.

Removed dependency on the GNU Scientific Library (GSL) due to licensing incompatibilities.

Improved calculation of derivatives.

Milestone information

Project:
Libpspio
Series:
0.2
Version:
0.2.0
Expected:
 
Active:
Yes. Drivers can target bugs and blueprints to this milestone.  

Activities

Assigned to you:
No blueprints or bugs assigned to you.
Assignees:
1 Matteo Giantomassi, 9 Micael Oliveira, 5 Yann Pouillon
Blueprints:
No blueprints are targeted to this milestone.
Bugs:
4 New, 1 Opinion, 2 Triaged, 2 In Progress, 12 Fix Committed

0 blueprints and 21 bugs targeted

Bug report Importance Assignee Status
1353486 #1353486 Change the info string into a proper structure holding miscellaneous information 3 High   0 New
1346976 #1346976 Improve calculation of derivatives 6 Wishlist Micael Oliveira  0 New
1346981 #1346981 Support for ABINIT format 5 6 Wishlist   0 New
1346982 #1346982 Support for PSF (Siesta) format. 6 Wishlist   0 New
1346978 #1346978 Find a way to distinguish exchange from correlation in Abinit pspxc code 6 Wishlist   2 Opinion
1347515 #1347515 NC multiprojectors in UPF v1 4 Medium   7 Triaged
1348721 #1348721 abinit_write_header writes a wrong charge when NLCC is present 4 Medium   7 Triaged
1346974 #1346974 Support for ABINIT format 6 6 Wishlist Micael Oliveira  8 In Progress
1348900 #1348900 Add evaluation of integrals 6 Wishlist Micael Oliveira  8 In Progress
1346985 #1346985 Remove GSL dependency 2 Critical Micael Oliveira  9 Fix Committed
1348184 #1348184 The test suite fails because of its design flaws 2 Critical Yann Pouillon  9 Fix Committed
1347513 #1347513 upf_read.c PP_BETA read 3 High Micael Oliveira  9 Fix Committed
1347520 #1347520 Fortran interface pspio_fortran_c.c dereference typo 3 High Micael Oliveira  9 Fix Committed
1347531 #1347531 pspio_f90_mesh_get_rab interface 3 High Micael Oliveira  9 Fix Committed
1347738 #1347738 Fortran pspio_f90_pspdata_eval_rhoatom interface 3 High Micael Oliveira  9 Fix Committed
1348086 #1348086 Remove CC_FORTRAN_INT from Fortran interface 3 High Matteo Giantomassi  9 Fix Committed
1348524 #1348524 Weird test_meshfunc behavior 3 High Micael Oliveira  9 Fix Committed
1349505 #1349505 test_fortran_io fails with PSPIO_EFILE_CORRUPT 3 High Yann Pouillon  9 Fix Committed
1346977 #1346977 All memory should be free before returning control when an error occurs 4 Medium Yann Pouillon  9 Fix Committed
1347752 #1347752 libtool version in configure.ac on MacOS 4 Medium Yann Pouillon  9 Fix Committed
1346980 #1346980 ASSERT macro should not take an error code as argument 6 Wishlist Yann Pouillon  9 Fix Committed
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