Revisions of libxc
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request 1089643
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Dirk Mueller (dirkmueller)
(revision 3)
baserev update by copy to link target
Dirk Mueller (dirkmueller)
committed
(revision 2)
- 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
Dirk Mueller (dirkmueller)
committed
(revision 1)
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