SEARCH
NEW RPMS
DIRECTORIES
ABOUT
FAQ
VARIOUS
BLOG

 
 
Changelog for libxc-4.2.1-1.1.x86_64.rpm :
Sun Jun 17 14:00:00 2018 rwarmbierAATTuj.ac.za
- Update to 4.2.1

* Many changes (see http://www.tddft.org/programs/libxc/changes/) , f.e.:

* License from LGPL to the Mozilla Public License 2 (MPL2).

* CPP for Fortran sources macro, so that cpp -C -freestanding is used instead of cpp -ansi.

Wed Mar 14 13:00:00 2018 robert.warmbierAATTwits.ac.za
- Update to 4.0.4

* Fixed:

* Incorrect XC_CORRELATION flag in the XC_LDA_K_ZLP, XC_LDA_X_RAE, and XC_GGA_XC_HLE16 functionals.

* Incorrect XC_EXCHANGE flag in the XC_GGA_C_SG4, XC_GGA_C_PBE_MOL, and XC_GGA_C_TM_PBE functionals.

* Incorrect XC_EXCHANGE_CORRELATION flag in the XC_MGGA_C_SCAN_RVV10 functional.

* Incorrect XC_FAMILY_MGGA family in the HYB_MGGA_XC_B0KCIS functional.

Wed Nov 22 13:00:00 2017 robert.warmbierAATTwits.ac.za
- Update to 4.0.3

* Fixed: Generation of libxc_docs.txt file.

* Added: Missing C to Fortran interface for xc_f90_nlc_coef.

Wed Nov 8 13:00:00 2017 robert.warmbierAATTwits.ac.za
- Update to 4.0.2

* See https://gitlab.com/libxc/libxc/wikis/Libxc-changes for details

* There are a few incompatible changes, be careful

Tue Nov 7 13:00:00 2017 robert.warmbierAATTwits.ac.za
- Update to 3.0.0

* See https://gitlab.com/libxc/libxc/wikis/Libxc-changes for details

* Added

* Micro version number to version function and version header file.

* Version_string function, which returns the version number in the following format: major.minor.micro

* Fortran 2003 interface using the iso_c_bindings module.

Thu Jul 21 14:00:00 2016 robert.warmbierAATTwits.ac.za
- Update to 2.2.3

* Fixed bugs in the following functionals:

* GGA: X_N12, C_N12, C_N12_SX, all the X_HJS_
*, X_VMT84_GE

* HYB_GGA: X_N12_SX, all the XC_HJS_
*, XC_O3LYP, XC_X3LYP

* GGA (second order derivatives only): X_B88, X_OPTB88_VDW, X_MB88, K_LLP, K_FR_B88, K_THAKKAR

* Fixed build with gcc 6.

Tue Nov 24 13:00:00 2015 robert.warmbierAATTwits.ac.za
- First submit using 2.2.2


 
ICM