CP_Rho_RHartExt Class Reference
Inheritance diagram for CP_Rho_RHartExt:
Public Member Functions | |
| CP_Rho_RHartExt (CkMigrateMessage *m) | |
| CP_Rho_RHartExt (int, int, int, int, int, UberCollection) | |
| This object just gets a rho message, computes GHartExt, and sends vks. More... | |
| void | init () |
| void | pup (PUP::er &p) |
| void | startEextIter () |
| Invoke by Rspace-density : Density has arrived in r-space and will soon arrive in g-space. More... | |
| void | computeAtmSF () |
| Start the real space part of the EES interpolation for atmSF(iatmTyp) /////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////. More... | |
| void | registrationDone (CkReductionMsg *msg) |
| = Make sure everyone is registered on the 1st time step | |
| void | fftAtmSfRtoG () |
| FFT of SF(x,y,z,iatmTyp) -> SF(gx,gy,z,iatmTyp) More... | |
| void | sendAtmSfRyToGy () |
| Double Transpose Fwd Send : A(gx,y,z) on the way to A(gx,gy,z) Send so that (y,z) parallelism is switched to (gx,z) More... | |
| void | recvAtmSfRyToGy (RhoGHartMsg *msg) |
| Double Transpose Fwd Recv : A(gx,y,z) on the way to A(gx,gy,z) Recv so that (y,z) parallel switched to (gx,z) More... | |
| void | sendAtmSfRhoGHart () |
| Send SF(gx,gy,z,iatmTYP) to g-space whence the FFT will be completed. More... | |
| void | recvAtmForcFromRhoGHart (RhoRHartMsg *msg) |
| Hartree sends back atom forces from e-atm interation Depending on the flag, it is Ewald or e-atm interation. More... | |
| void | fftAtmForcGtoR (int flagEwd) |
| Complete the FFT : sf(gx,gy,z) ->sf(x,y,z) /////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////. | |
| void | sendAtmForcGxToRx (int iopt) |
| void | recvAtmForcGxToRx (RhoGHartMsg *msg) |
| void | computeAtmForc (int) |
| Get forces on atoms from Ewald or electrons /////////////////////////////////////////////////////////////////////////// ///////////////////////////////////////////////////////////////////////////. More... | |
| void | exitForDebugging () |
| Glenn's Rhart exit. | |
Public Attributes | |
| const UberCollection | thisInstance |
| int | listSubFlag |
| int | nplane_rho_x |
| int | rhoRsubplanes |
| int | registrationFlag |
| int | launchFlag |
| int | ngrida |
| int | ngridb |
| int | ngridc |
| int | iplane_ind |
| int | ees_eext_on |
| int | natmTyp |
| int | countFFT [2] |
| int | countIntRtoG |
| int | countIntGtoR [2] |
| int | iteration |
| int | iterAtmTyp |
| int | csize |
| int | nAtmTypRecv |
| int | csizeInt |
| int | myNgridb |
| int | myBoff |
| int | nptsB |
| int | nptsExpndB |
| int | myNplane_rho |
| int | myAoff |
| int | nptsA |
| int | nptsExpndA |
| int | countDebug |
| int | recvCountFromGHartExt |
| int | nchareHartAtmT |
| int | natmTypTot |
| int | atmTypoff |
| complex * | atmSFC |
| double * | atmSFR |
| complex * | atmForcC |
| double * | atmForcR |
| complex * | atmEwdSFC |
| double * | atmEwdSFR |
| complex * | atmEwdForcC |
| double * | atmEwdForcR |
| complex * | atmSFCint |
| double * | atmSFRint |
| complex * | atmForcCint |
| double * | atmForcRint |
| complex * | atmEwdSFCint |
| double * | atmEwdSFRint |
| complex * | atmEwdForcCint |
| double * | atmEwdForcRint |
| CProxy_CP_Rho_GHartExt | rhoGHartProxy_com |
Detailed Description
Definition at line 377 of file CP_State_Plane.h.
The documentation for this class was generated from the following files:
