Difference between revisions of "CamCASP/Releases"
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* 10-fold speed-up in calculating 2 and 3-centre Coulomb integrals. |
* 10-fold speed-up in calculating 2 and 3-centre Coulomb integrals. |
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| + | * Revision 21041 compiles with ifort. Binary is almost twice as fast as with pgf90. |
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Revision as of 13:25, 13 July 2010
CamCASP => Releases and Branches
Branches
5.5-dev
Branched from trunk on the 25-Mar-10.
- New program: res2disp added. Source code in src/res2disp/
Calculates dispersion energies of crystals using isotropic dispersion models.
- Kernel integrals constructed in CamCASP.
- New propagator module: Implements the ALDA(X) kernel in the manner described in Bukowski et al. CPL 414, 111(2005).
- 10-fold speed-up in calculating 2 and 3-centre Coulomb integrals.
- Revision 21041 compiles with ifort. Binary is almost twice as fast as with pgf90.