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Name: libxc5 | Distribution: SUSE Linux Enterprise 15 SP3 |
Version: 4.2.3 | Vendor: openSUSE |
Release: bp153.1.17 | Build date: Sat Mar 6 03:18:44 2021 |
Group: System/Libraries | Build host: obs-power8-03 |
Size: 5609708 | Source RPM: libxc-4.2.3-bp153.1.17.src.rpm |
Packager: https://bugs.opensuse.org | |
Url: http://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
* 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 * Tue Nov 07 2017 robert.warmbier@wits.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 2016 robert.warmbier@wits.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 2015 robert.warmbier@wits.ac.za - First submit using 2.2.2
/usr/bin/xc-info /usr/bin/xc-threshold /usr/lib64/libxc.so.5 /usr/lib64/libxc.so.5.2.3 /usr/lib64/libxcf03.so.5 /usr/lib64/libxcf03.so.5.2.3 /usr/lib64/libxcf90.so.5 /usr/lib64/libxcf90.so.5.2.3 /usr/share/doc/packages/libxc5 /usr/share/doc/packages/libxc5/AUTHORS /usr/share/doc/packages/libxc5/ChangeLog /usr/share/doc/packages/libxc5/NEWS /usr/share/doc/packages/libxc5/README /usr/share/licenses/libxc5 /usr/share/licenses/libxc5/COPYING
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Fabrice Bellet, Tue Jul 9 13:44:15 2024