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Name: libxc12 | Distribution: openSUSE Tumbleweed |
Version: 6.2.2 | Vendor: openSUSE |
Release: 1.1 | Build date: Sat Jul 8 21:00:07 2023 |
Group: System/Libraries | Build host: old-atreju4 |
Size: 11882273 | Source RPM: libxc-6.2.2-1.1.src.rpm |
Packager: https://bugs.opensuse.org | |
Url: https://www.tddft.org/programs/libxc/ | |
Summary: Library of exchange and correlation functionals to be used in DFT codes |
Libxc is a library of exchange and correlation functionals. Its purpose is to be used in codes that implement density-functional theory. The library includes most of the local density approximations (LDAs), generalized density approximation (GGAs), and meta-GGAs. The library provides values for the energy density and its 1st, 2nd, and (for the LDAs) 3rd derivatives. This package contains the library of libxc.
MPL-2.0
* Thu Jun 22 2023 Martin Pluskal <mpluskal@suse.com> - Update to version 6.2.2: * Dimension of v4rhosigma2lapl, v4rhosigma2tau, v4rhosigmatau2, v4sigma3tau arrays was wrong * CMake employed ENABLE_XHOST=ON by default, resulting in binaries specific to the host processor * Mon May 29 2023 Dirk Müller <dmueller@suse.com> - 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 * Wed Dec 14 2022 Atri Bhattacharya <badshah400@gmail.com> - Move xc-info binary to devel package and make devel pkg conflict with older libxc5 to work around SLPP guideline violation from older shared lib versions. * Fri Dec 09 2022 Atri Bhattacharya <badshah400@gmail.com> - Update to version 6.0.0: * Changes to the internal handling of derivatives * Improvements in array access, resulting in significant speedups on GPUs. * Bug fix: LDA_C_KARASIEV and LDA_C_KARASIEV_MOD were implemented incorrectly. * Added: - GGA functionals: XC_B97_3C, X_PBE_GAUSSIAN, C_PBE_GAUSSIAN, X_PBE_MOD, X_NCAPR - HYB_GGA functionals: XC_B3P86_NWCHEM - MGGA functionals: C_TPSS_GAUSSIAN, C_CC, C_CCALDA, X_VCML, XC_VCML_RVV10 - HYB_MGGA functionals: XC_BR3P86 - functions to extract BibTeX reference keys from functionals - Specfile clean up. - Bump so version. - Drop unnecessary autotools BuildRequires (automake, autoconf, libtool). - Update source URL. * Tue Jan 01 2019 Jan Engelhardt <jengelh@inai.de> - Trim time-sensitive wording from description. * Sun Dec 30 2018 Christoph Junghans <junghans@votca.org> - Update to 4.2.3 * timeout when generating the xc_func.h file with CMake. - Major spec file cleanup * Sun Jun 17 2018 rwarmbier@uj.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 2018 robert.warmbier@wits.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 2017 robert.warmbier@wits.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 08 2017 robert.warmbier@wits.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
/usr/lib64/libxc.so.12 /usr/lib64/libxc.so.12.2.2 /usr/lib64/libxcf03.so.12 /usr/lib64/libxcf03.so.12.2.2 /usr/lib64/libxcf90.so.12 /usr/lib64/libxcf90.so.12.2.2 /usr/share/licenses/libxc12 /usr/share/licenses/libxc12/COPYING
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Fabrice Bellet, Wed Nov 13 00:41:02 2024