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CP2K 2.4 (Revision 12889)
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#include "cp_common_uses.h"
Include dependency graph for ai_fermi_contact.f90:Go to the source code of this file.
Namespaces | |
| namespace | ai_fermi_contact |
Calculation of the Fermi contact integrals over Cartesian Gaussian-type functions. | |
Functions | |
| subroutine, public | ai_fermi_contact::fermi_contact (la_max, la_min, npgfa, rpgfa, zeta, lb_max, lb_min, npgfb, rpgfb, zetb, rac, rbc, dab, fcab, ldfc) |
| Purpose: Calculation of the two-center Fermi contact integrals 4/3*pi*[a|delta(r-c)|b] over Cartesian Gaussian-type functions. | |
Variables | |
| CHARACTER(len=*), parameter, private | ai_fermi_contact::moduleN = 'ai_fermi_contact' |
1.7.3