- update to 6.2.0:
* CMake does not link standard math library in shared xc
library
* Taylor expansions used in GGA_C_REVTCA, GGA_K_VT84F,
MGGA_X_FT98 were not of sufficient to guarantee accuracy of
all derivatives
* Replaced hard cutoff in MGGA_X_MBRXC_BG with a Taylor
expansion
* StandardMathLibraryC.cmake reusing variable names
* Memory allocation in xc-regression
* MGGA_C_REVSCAN was implemented incorrectly
* Missing comma in MGGA_XC_B97M_V
* GGA_X_HERMAN was incorrect: the functional is really a meta-
GGA but its form was unclear and it seems numerically
unstable
OBS-URL: https://build.opensuse.org/request/show/1089643
OBS-URL: https://build.opensuse.org/package/show/science/libxc?expand=0&rev=8
- Trim time-sensitive wording from description.
- Update to 4.2.3
* timeout when generating the xc_func.h file with CMake.
- Major spec file cleanup
- 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.
- 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.
- Update to 4.0.3
* Fixed: Generation of libxc_docs.txt file.
* Added: Missing C to Fortran interface for xc_f90_nlc_coef.
- Update to 4.0.2
* See https://gitlab.com/libxc/libxc/wikis/Libxc-changes for details
* There are a few incompatible changes, be careful
- 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.
- 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.
- First submit using 2.2.2
OBS-URL: https://build.opensuse.org/request/show/662741
OBS-URL: https://build.opensuse.org/package/show/openSUSE:Factory/libxc?expand=0&rev=1
