Merge branch 'develop' of https://github.com/issp-center-dev/qlmpack …

…into develop
issp-center-dev · Jun 19, 2017 · cee4294 · cee4294
2 parents 548ba43 + 2842cfc
commit cee4294
Show file tree

Hide file tree

Showing 7 changed files with 227 additions and 71 deletions.
diff --git a/src/include/mltplyHubbard.h b/src/include/mltplyHubbard.h
@@ -23,14 +23,6 @@ int mltplyHubbard(struct BindStruct *X, double complex *tmp_v0,double complex *t
 
 int mltplyHubbardGC(struct BindStruct *X, double complex *tmp_v0,double complex *tmp_v1);
 
-double complex child_general_hopp_element
-(
- long unsigned int j,
- double complex       *tmp_v0,
- double complex      *tmp_v1,
- struct BindStruct *X
- );
-
 double complex GC_child_general_hopp
 (
  double complex *tmp_v0,

diff --git a/src/include/mltplyHubbardCore.h b/src/include/mltplyHubbardCore.h
@@ -19,14 +19,6 @@
 
 #include "Common.h"
 
-double complex child_general_hopp_element
-(
- long unsigned int j,
- double complex       *tmp_v0,
- double complex      *tmp_v1,
- struct BindStruct *X
- );
-
 double complex child_pairhopp_element
 (
  long unsigned int j,
@@ -184,17 +176,6 @@ double complex GC_child_CisAjtCkuAlv_element
         );
 //[e]Grand canonical
 
-double complex CisAis
-(		      
- long unsigned int j,
- double  complex *tmp_v0,
- double complex *tmp_v1,
- struct BindStruct *X,
- long unsigned int is1_spin,
- double complex tmp_trans
-);
-
-
 double complex GC_CisAis
 (
  long unsigned int j,

diff --git a/src/include/mltplySpin.h b/src/include/mltplySpin.h
@@ -70,11 +70,4 @@ double complex GC_child_pairlift_spin
  struct BindStruct *X
  );
 
-double complex child_pairlift_spin
-(
- double complex *tmp_v0,
- double complex *tmp_v1,
- struct BindStruct *X
- );
-
 #endif
diff --git a/src/include/mltplySpinCore.h b/src/include/mltplySpinCore.h
@@ -37,15 +37,6 @@ double complex GC_child_pairlift_spin_element
  long unsigned int *tmp_off
  );
 
-double complex child_pairlift_spin_element
-(
- long unsigned int j,
- double complex       *tmp_v0,
- double complex       *tmp_v1,
- struct BindStruct *X,
- long unsigned int *tmp_off
- );
-
 double complex GC_child_exchange_spin_element
 (
  long unsigned int j,
@@ -80,21 +71,6 @@ double complex child_CisAisCisAis_spin_element
                 struct BindStruct *X
         );
 
-double complex child_CisAjsCjtAit_spin_element
-        (
-                long unsigned int j,
-                long unsigned int isA_up,
-                long unsigned int isB_up,
-                long unsigned int org_sigma2,
-                long unsigned int org_sigma4,
-                double complex tmp_V,
-                double complex *tmp_v0,
-                double complex *tmp_v1,
-                struct BindStruct *X,
-                long unsigned int *tmp_off
-        );
-
-
 double complex child_CisAisCitAiu_spin_element
         (
                 long unsigned int j,
@@ -246,16 +222,6 @@ long unsigned int is1_spin,
 long unsigned int sigma1
 );
 
-int X_Spin_CisAjs(
-long unsigned int j,
-struct BindStruct *X,
-long unsigned int is1_spin,
-long unsigned int is2_spin,
-long unsigned int sigma1,
-long unsigned int *tmp_off
-);
-
-
 int X_SpinGC_CisAis(
 long unsigned int j,
 struct BindStruct *X,

diff --git a/src/mltplyHubbard.c b/src/mltplyHubbard.c
@@ -59,7 +59,8 @@
   <tr>
     <td>@f$c_{i s}^\dagger c_{j t}@f$</td>
     <td>::CisAjt, ::X_CisAjt</td>
-    <td>::child_CisAjt_MPIsingle, ::child_CisAjt_MPIdouble, ::X_child_CisAjt_MPIsingle, ::X_child_CisAjt_MPIdouble</td>
+    <td>::child_CisAjt_MPIsingle, ::child_CisAjt_MPIdouble, 
+    ::X_child_CisAjt_MPIsingle, ::X_child_CisAjt_MPIdouble</td>
     <td>::GC_CisAjt, ::X_GC_CisAjt</td>
     <td>::GC_child_CisAjt_Hubbard_MPI, ::X_GC_child_CisAjt_Hubbard_MPI</td>
   </tr>
@@ -91,16 +92,51 @@
     <td>::GC_child_CisAjtCkuAku_element</td>
     <td>::X_GC_child_CisAjtCkuAku_Hubbard_MPI</td>
   </tr>
-    <tr>
+  <tr>
     <td>@f$c_{i s}^\dagger c_{j t} c_{k u}^\dagger c_{l v}@f$</td>
     <td>::child_CisAjtCkuAlv_element</td>
     <td>::X_child_CisAjtCkuAlv_Hubbard_MPI</td>
     <td>::GC_child_CisAjtCkuAlv_element</td>
     <td>::X_GC_child_CisAjtCkuAlv_Hubbard_MPI</td>
   </tr>
-
 </table>
 
+Other
+
+<table>
+  <tr>
+    <td></td>
+    <td>Get info</td>
+    <td>Canonical</td>
+    <td>Grandcanonical</td>
+  </tr>
+  <tr>
+    <td>Exchange</td>
+    <td>::child_exchange_GetInfo</td>
+    <td>::child_exchange, ::child_exchange_element</td>
+    <td>::GC_child_exchange, ::GC_child_exchange_element</td>
+  </tr>
+  <tr>
+    <td>Pair hop</td>
+    <td>::child_pairhopp_GetInfo</td>
+    <td>::child_pairhopp, ::child_pairhopp_element</td>
+    <td>::GC_child_pairhopp, ::GC_child_pairhopp_element</td>
+  </tr>
+  <tr>
+    <td>General int.</td>
+    <td>::child_general_int_GetInfo</td>
+    <td>::child_general_int</td>
+    <td>::GC_child_general_int</td>
+  </tr>
+  <tr>
+    <td>General hop</td>
+    <td>::child_general_hopp_GetInfo</td>
+    <td>::child_general_hopp, ::child_general_hopp_MPIsingle, 
+    ::child_general_hopp_MPIdouble</td>
+    <td>::GC_child_general_hopp, ::GC_child_general_hopp_MPIsingle, 
+    ::GC_child_general_hopp_MPIdouble</td>
+  </tr>
+</table>
 */
 #include <bitcalc.h>
 #include "mltplyCommon.h"

diff --git a/src/mltplyMPISpinCore.c b/src/mltplyMPISpinCore.c
@@ -15,6 +15,52 @@
 /* along with this program.  If not, see <http://www.gnu.org/licenses/>. */
 /**@file
 @brief Functions for spin Hamiltonian + MPI (Core)
+
+General two body term:
+<table>
+  <tr>
+    <td></td>
+    <td>1/2 spin</td>
+    <td>1/2 spin</td>
+    <td></td>
+    <td></td>
+  </tr>
+  <tr>
+    <td></td>
+    <td>MPI single</td>
+    <td>MPI double</td>
+    <td>MPI single</td>
+    <td>MPI double</td>
+  </tr>
+  <tr>
+    <td>@f$c_{is}^\dagger c_{is} c_{ju}^\dagger c_{ju}@f$</td>
+    <td>::GC_child_CisAisCjuAju_spin_MPIsingle, ::X_GC_child_CisAisCjuAjv_spin_MPIsingle</td>
+    <td>::GC_child_CisAisCjuAju_spin_MPIdouble, ::X_GC_child_CisAisCjuAjv_spin_MPIdouble</td>
+    <td>::X_child_CisAisCjuAju_GeneralSpin_MPIsingle, ::X_GC_child_CisAisCjuAjv_GeneralSpin_MPIsingle</td>
+    <td>::X_child_CisAisCjuAju_GeneralSpin_MPIsingle, ::X_GC_child_CisAisCjuAjv_GeneralSpin_MPIsingle</td>
+  </tr>
+  <tr>
+    <td>@f$c_{is}^\dagger c_{is} c_{ju}^\dagger c_{jv}@f$</td>
+    <td>::GC_child_CisAisCjuAjv_spin_MPIsingle, ::X_GC_child_CisAisCjuAjv_spin_MPIsingle</td>
+    <td>::GC_child_CisAisCjuAjv_spin_MPIdouble, ::X_GC_child_CisAisCjuAjv_spin_MPIdouble</td>
+    <td>::X_child_CisAisCjuAjv_GeneralSpin_MPIsingle, ::X_GC_child_CisAisCjuAjv_GeneralSpin_MPIsingle</td>
+    <td>::X_child_CisAisCjuAjv_GeneralSpin_MPIsingle, ::X_GC_child_CisAisCjuAjv_GeneralSpin_MPIsingle</td>
+  </tr>
+  <tr>
+    <td>@f$c_{is}^\dagger c_{it} c_{ju}^\dagger c_{ju}@f$</td>
+    <td>::GC_child_CisAitCjuAju_spin_MPIsingle, ::X_GC_child_CisAisCjuAjv_spin_MPIsingle</td>
+    <td>::GC_child_CisAitCjuAju_spin_MPIdouble, ::X_GC_child_CisAisCjuAjv_spin_MPIdouble</td>
+    <td>::X_child_CisAitCjuAju_GeneralSpin_MPIsingle, ::X_GC_child_CisAitCjuAju_GeneralSpin_MPIsingle</td>
+    <td>::X_child_CisAitCjuAju_GeneralSpin_MPIsingle, ::X_GC_child_CisAitCjuAju_GeneralSpin_MPIsingle</td>
+  </tr>
+  <tr>
+    <td>@f$c_{is}^\dagger c_{it} c_{ju}^\dagger c_{jv}@f$</td>
+    <td>::GC_child_CisAitCjuAjv_spin_MPIsingle, ::X_GC_child_CisAisCjuAjv_spin_MPIsingle</td>
+    <td>::GC_child_CisAitCjuAjv_spin_MPIdouble, ::X_GC_child_CisAisCjuAjv_spin_MPIdouble</td>
+    <td>::X_child_CisAitCjuAjv_GeneralSpin_MPIsingle, ::X_GC_child_CisAitCjuAjv_GeneralSpin_MPIsingle</td>
+    <td>::X_child_CisAitCjuAjv_GeneralSpin_MPIsingle, ::X_GC_child_CisAitCjuAjv_GeneralSpin_MPIsingle</td>
+  </tr>
+</table>
 */
 #ifdef MPI
 #include "mpi.h"

diff --git a/src/mltplySpin.c b/src/mltplySpin.c
@@ -14,6 +14,148 @@
 /* along with this program.  If not, see <http://www.gnu.org/licenses/>. */
 /**@file
 @brief Functions for spin Hamiltonian
+
+- mltplySpin() : Main routine of spin Hamiltonian (canonical)
+  - mltplyHalfSpin() : 1/2 spin
+  - mltplyGeneralSpin() : general spin
+- mltplySpinGC() : Main routine of spin Hamiltonian (grandcanonical)
+  - mltplyHalfSpinGC() : 1/2 spin
+  - mltplyGeneralSpinGC() : general spin
+  - mltplySpinGCBoost() : 
+
+Hub routines
+<table>
+  <tr>
+    <td></td>
+    <td>Get info</td>
+    <td>Canonical</td>
+    <td>Grandcanonical</td>
+  </tr>
+  <tr>
+    <td>Exchange</td>
+    <td>::child_exchange_spin_GetInfo</td>
+    <td>::child_exchange_spin, ::child_exchange_spin_element</td>
+    <td>::GC_child_exchange_spin, ::GC_child_exchange_spin_element</td>
+  </tr>
+  <tr>
+    <td>Pair lift</td>
+    <td>::child_pairlift_spin_GetInfo</td>
+    <td></td>
+    <td>::GC_child_pairlift_spin, ::GC_child_pairlift_spin_element</td>
+  </tr>
+  <tr>
+    <td>General int.</td>
+    <td>::child_general_int_spin_GetInfo</td>
+    <td>::child_general_int_spin, ::child_general_int_spin_MPIsingle
+    ::X_child_general_int_spin_MPIsingle, ::child_general_int_spin_MPIdouble,
+    ::X_child_general_int_spin_MPIdouble</td>
+    <td>::GC_child_general_int_spin, ::GC_child_general_int_spin_MPIsingle,
+    ::GC_child_general_int_spin_MPIdouble</td>
+  </tr>
+  <tr>
+    <td>General int for 1/2 spin</td>
+    <td>::child_general_int_spin_GetInfo</td>
+    <td>::child_general_int_spin, ::child_general_int_spin_MPIsingle
+    ::X_child_general_int_spin_MPIsingle, ::child_general_int_spin_MPIdouble,
+    ::X_child_general_int_spin_MPIdouble</td>
+    <td>::GC_child_general_int_spin, ::GC_child_general_int_spin_MPIsingle,
+    ::GC_child_general_int_spin_MPIdouble</td>
+  </tr>
+  <tr>
+    <td>General int for general spin</td>
+    <td></td>
+    <td>::child_general_int_GeneralSpin_MPIsingle,
+    ::child_general_int_GeneralSpin_MPIdouble</td>
+    <td>::GC_child_general_int_GeneralSpin_MPIsingle,
+    ::GC_child_general_int_GeneralSpin_MPIdouble</td>
+  </tr>
+</table>
+
+General on-site term
+<table>
+  <tr>
+    <td></td>
+    <td>1/2 spin</td>
+    <td>1/2 spin</td>
+    <td>1/2 spin</td>
+    <td>1/2 spin</td>
+    <td>General spin</td>
+    <td>General spin</td>
+  </tr>
+  <tr>
+    <td></td>
+    <td>Canonical</td>
+    <td>Canonical</td>
+    <td>Grand canonical</td>
+    <td>Grand canonical</td>
+    <td>Canonical</td>
+    <td>Grand canonical</td>
+  </tr>
+  <tr>
+    <td></td>
+    <td>In process</td>
+    <td>Across process</td>
+    <td>In process</td>
+    <td>Across process</td>
+    <td>Across process</td>
+    <td>Across process</td>
+  </tr>
+  <tr>
+    <td>@f$c_{i s}^\dagger c_{i s}@f$</td>
+    <td>::X_Spin_CisAis</td>
+    <td>::X_child_CisAis_spin_MPIdouble</td>
+    <td>::X_SpinGC_CisAis</td>
+    <td>::X_GC_child_CisAis_spin_MPIdouble</td>
+    <td>::X_child_CisAis_GeneralSpin_MPIdouble</td>
+    <td>::X_GC_child_CisAis_GeneralSpin_MPIdouble</td>
+  </tr>
+  <tr>
+    <td>@f$c_{i s}^\dagger c_{i t}@f$</td>
+    <td>::X_Spin_CisAit</td>
+    <td>::X_child_CisAit_spin_MPIdouble</td>
+    <td>::X_SpinGC_CisAit</td>
+    <td>::X_GC_child_CisAit_spin_MPIdouble</td>
+    <td>::X_child_CisAit_GeneralSpin_MPIdouble</td>
+    <td>::X_GC_child_CisAit_GeneralSpin_MPIdouble</td>
+  </tr>
+  <tr>
+    <td>@f$c_{i s}^\dagger c_{i s} c_{i s}^\dagger c_{i s}@f$</td>
+    <td>::child_CisAisCisAis_spin_element</td>
+    <td></td>
+    <td>::GC_child_CisAisCisAis_spin_element</td>
+    <td></td>
+    <td></td>
+    <td></td>
+  </tr>
+  <tr>
+    <td>@f$c_{i s}^\dagger c_{i s} c_{i t}^\dagger c_{i u}@f$</td>
+    <td></td>
+    <td></td>
+    <td>::GC_child_CisAisCitAiu_spin_element</td>
+    <td></td>
+    <td></td>
+    <td></td>
+  </tr>
+  <tr>
+    <td>@f$c_{i s}^\dagger c_{i t} c_{i u}^\dagger c_{i u}@f$</td>
+    <td></td>
+    <td></td>
+    <td>::GC_child_CisAitCiuAiu_spin_element</td>
+    <td></td>
+    <td></td>
+    <td></td>
+  </tr>
+  <tr>
+    <td>@f$c_{i s}^\dagger c_{i t} c_{i u}^\dagger c_{i v}@f$</td>
+    <td></td>
+    <td></td>
+    <td>::GC_child_CisAitCiuAiv_spin_element</td>
+    <td>::GC_child_CisAitCiuAiv_spin_MPIsingle, ::X_GC_child_CisAitCiuAiv_spin_MPIsingle,
+    ::GC_child_CisAitCiuAiv_spin_MPIdouble, ::X_GC_child_CisAitCiuAiv_spin_MPIdouble</td>
+    <td></td>
+    <td></td>
+  </tr>
+</table>
 */
 #include <bitcalc.h>
 #include "mfmemory.h"