v 1.7.3

soc/Eatools_bulk.f90

@@ -0,0 +1,22 @@
+!```````````````````````````````````````````````````````````````````````````````````````````````
+! Copyright (c) 2018-2022 Shahram Yalameha <[email protected]> , <[email protected]>, `
+!               Please report bugs or suggestions to:  [email protected]                     `
+!                                                                                               `
+!```````````````````````````````````````````````````````````````````````````````````````````````
+! SUBROUTINE: fOR 3D MATERIAL, the core of the bulk Modulus method II calculation.. 
+
+SUBROUTINE bulk_method(Pratio, sheainvar, bulk_m2)
+
+DOUBLE PRECISION      :: Pratio, sheainvar, bulk_m2
+
+
+
+
+bulk_m2 = ( 2.d0 * sheainvar * (1.d0 + Pratio) ) /   (3.0d0 * (1.0d0  - 2.0d0 * Pratio))
+
+
+
+
+
+
+END SUBROUTINE bulk_method

soc/Eatools_poi.f90

@@ -7,7 +7,7 @@
 
 SUBROUTINE CPratio(a1111,MinPratio,MaxPratio,AvePratio,&
                        vec1min,vec2min,vec3min,vec1max,vec2max,vec3max,&
-		               theta,phi,k11,k12,k13,k22,k23,k33,Pratio)
+		                     theta,phi,k11,k12,k13,k22,k23,k33,Pratio)
 
 	  DOUBLE PRECISION, PARAMETER       ::  pi=3.1415926535897932384626433832795d0
 	  DOUBLE PRECISION, DIMENSION(6,6)  ::  S=0D0
@@ -72,19 +72,19 @@ SUBROUTINE CPratio(a1111,MinPratio,MaxPratio,AvePratio,&
                 + k33*v33*S(3,3)  
 
 
-    	a1122  =a1122                                     &
+    	a1122  =a1122                                        &
                  +(k11*v23+k23*v11)*S(1,4)                &
                  +(k11*v13+k13*v11)*S(1,5)                &
                  +(k11*v12+k12*v11)*S(1,6)                &
-		         +(k22*v23+k23*v22)*S(2,4)                &
+		               +(k22*v23+k23*v22)*S(2,4)                &
                  +(k22*v13+k13*v22)*S(2,5)                &
                  +(k22*v12+k12*v22)*S(2,6)                &
-		         +(k33*v23+k23*v33)*S(3,4)                &
+		               +(k33*v23+k23*v33)*S(3,4)                &
                  +(k33*v13+k13*v33)*S(3,5)                &
                  +(k33*v12+k12*v33)*S(3,6)+k23*v23*S(4,4) &
                  +(k23*v13+k13*v23)*S(4,5)                &
                  +(k23*v12+k12*v23)*S(4,6)+k13*v13*S(5,5) &
-				 +(k13*v12+k12*v13)*S(5,6)+k12*v12*S(6,6) 
+			            	 +(k13*v12+k12*v13)*S(5,6)+k12*v12*S(6,6) 
 		Pratio = -a1122/a1111
 	IF (kk.EQ.0) THEN 
 			MaxPratio=Pratio; MinPratio=Pratio;

soc/Eatools_sh.f90

@@ -65,7 +65,7 @@ SUBROUTINE CShear(Minsheainvar,Maxsheainvar,sheainvar_ave,phi,theta,k11,k12,k13,
 			!Maxsheainvar=Maxsheainvar*100D0
 		ENDIF
 		IF (sheainvar.LE.Minsheainvar)THEN
-			Minsheainvar = (sheainvar)
+			Minsheainvar = sheainvar
 		ENDIF
 	ENDIF    
 	ave=ave+sheainvar   

soc/Eatools_welc.f90

@@ -19,10 +19,10 @@ SUBROUTINE WELCOME()
 WRITE(*,'(a)')"            45 6C 41 74 6F 6F 6C 73            "
 WRITE(*,*)'          Author : Shahram Yalameha           '                   
 WRITE(*,*)'         Email : [email protected]          ' 
-WRITE(*,'(a)')'                   v1.7.2                      '
+WRITE(*,'(a)')'                   v1.7.3                      '
 WRITE(*,'(a)')'                    From                       '
 WRITE(*,'(a)')'            Elastic Tools Project               '
-WRITE(*,'(a)')'=========          (c)2018          ==========='
+WRITE(*,'(a)')'=========        (c)2018-2022        =========='
 WRITE(*,*)'                                                   '
 
 !!!!
@@ -39,10 +39,10 @@ SUBROUTINE WELCOME()
 WRITE(99,'(a)')"            45 6C 41 74 6F 6F 6C 73            "
 WRITE(99,*)'          Author : Shahram Yalameha                '                   
 WRITE(99,*)'         Email : [email protected]              '
-WRITE(99,'(a)')'                   v1.7.2                      '
+WRITE(99,'(a)')'                   v1.7.3                      '
 WRITE(99,'(a)')'                    From                       '
 WRITE(99,'(a)')'            Elastic Tools Project              '
-WRITE(99,'(a)')'=========          (c)2018          ==========='
+WRITE(99,'(a)')'=========        (c)2018-2022        =========='
 WRITE(99,*)'                                                   '
 WRITE(99,*)'                                                   '
 

soc/Makefile

@@ -13,20 +13,20 @@
 
 #---------------- compiler -----------------
 
-#FC = ifort
- FC = gfortran
+FC = ifort
+# FC = gfortran
 #------------- compiler options ------------
 
-#FOPT     = -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -I$(MKLROOT)/include   # for ifort 
-#FGEN = -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback                                                  # for ifort 
+ FOPT     = -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -I$(MKLROOT)/include   # for ifort 
+ FGEN = -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback                                                  # for ifort 
 
-   FOPT = -ffree-form -O2 -ffree-line-length-none     # for gfortran
-   FGEN = -ffree-form -O2 -ffree-line-length-none     # for gfortran
+  # FOPT = -ffree-form -O2 -ffree-line-length-none     # for gfortran
+ #  FGEN = -ffree-form -O2 -ffree-line-length-none     # for gfortran
 
 #-------------- loader options -------------
 
-   LDFLAGS  = $(FOPT)  -lblas -llapack -lpthread           # for gfortran
-#LDFLAGS  = $(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread -lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -qopenmp -lpthread  # for ifort 
+ #  LDFLAGS  = $(FOPT)  -lblas -llapack -lpthread           # for gfortran
+LDFLAGS  = $(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread -lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -qopenmp -lpthread  # for ifort 
 
 
 
@@ -57,7 +57,7 @@ OBJS =  Eatools_main.o	 Eatools_2Dyoung.o Eatools_2Dpoisson.o  Eatools_2Dshear.o
         Eatools_3dPLcom.o Eatools_stability.o Eatools_db.o	Eatools_3dPLsh.o Eatools_ang2car.o Eatools_dsyec3.o \
         Eatools_dutester.o Eatools_proelast.o Eatools_sh.o Eatools_welc.o Eatools_pugh.o Eatools_3dPLpugh.o  Eatools_hardness.o \
         Eatools_km.o Eatools_wave_start.o Eatools_wave_vgvf.o Eatools_wave_rot.o Eatools_wave_cal.o Eatools_wave_main.o Eatools_2dcal_wave.o \
-        Eatools_pro_wave.o Eatools_2Dadv.o Eatools_api.o Eatools_3dslic.o
+        Eatools_pro_wave.o Eatools_2Dadv.o Eatools_api.o Eatools_3dslic.o Eatools_bulk.o help.o
 OBJS1 =	wrl_calylm.o wrl_colorsign.o wrl_end.o wrl_main.o \
 	       wrl_mesh.o wrl_shape.o wrl_spherappear.o wrl_spher.o wrl_start.o wrl_setcolor.o
 

soc/help.f90

@@ -0,0 +1,35 @@
+SUBROUTINE help_me()
+  write(*,"(A)")"----------------------------------------------------------------------------------------------------------------------------------------"
+  write(*,"(A)")"                                                  ## Command-line Options: ##"
+  write(*,"(A)")"----------------------------------------------------------------------------------------------------------------------------------------"
+  write(*,"(A)")"Elatools.x -d [Integer] -m [Integer/String] -ewp [String]  -ktc [String]   -op [String]"
+  write(*,"(A)")"            |            |                    |              |              |           "
+  write(*,"(A)")"            |            |                    |              |              ^           "
+  write(*,"(A)")"            |            |                    |              |       Type of 2D system  " 
+  write(*,"(A)")"            |            |                    |              |       2D: def => Default option| adv => Advanced option"
+  write(*,"(A)")"            |            |                    |              ^                          "
+  write(*,"(A)")"            |            |                    |   Calculate Min. thermal conductivity   "
+  write(*,"(A)")"            |            |                    |   3D: y => Yes| n => No                 "
+  write(*,"(A)")"            |            |                    ^                                         " 
+  write(*,"(A)")"            |            |    Calculate elastic wave properties                         "
+  write(*,"(A)")"            |            |    3D: y => Yes| n => No                                     " 
+  write(*,"(A)")"            |            ^                                                              "
+  write(*,"(A)")"            |       Output code                                                         "  
+  write(*,"(A)")"            |       3D: 1 => IRelast| 2 => Elast| 3 => AELAS| 4 => ElaStic| 5 => Cij file| 6 => offline Databank|  7 => online Databank "                                
+  write(*,"(A)")"            |       2D: 1 => AELAS  | 2 => IRelast2D| 3 => Cij-2D file  "
+  write(*,"(A)")"            ^"       
+  write(*,"(A)")"       System Type                                                                      "
+  write(*,"(A)")"       3 => 3D sys. and 2 => 2D sys."
+  write(*,"(A)")""
+  write(*,"(A)")"----------------------------------------------------------------------------------------------------------------------------------------"
+
+  write(*,"(A)")" > Example for 3D system:"
+  write(*,"(A)")" Elatools.x -d 3 -m 5"
+  write(*,"(A)")" Elatools.x -d 3 -m 3 -ewp y"
+  write(*,"(A)")" Elatools.x -d 3 -m 1 -ewp y -ktc y"
+  write(*,"(A)")""
+  write(*,"(A)")" > Example for 2D system:"
+  write(*,"(A)")" Elatools.x -d 2 -m 2 -op def"
+  write(*,"(A)")" Elatools.x -d 2 -m 3 -op adv"
+
+END SUBROUTINE

soc/html_elayout.f90

@@ -90,11 +90,11 @@ SUBROUTINE   buttone_polar_web(max_value)
         ChARACTER(len=30)                :: title 
         ChARACTER(len=10)                :: namepro 
         DOUBLE PRECISION                 :: max_value            
-     if (namepro == "poi2d"  )    title="Poisson\'s ratio"
+     if (namepro == "poi2d" .or. namepro == "2dpoi" )    title="Poisson\'s ratio"
      if (namepro == "pugh2d"  )    title="Pugh\'s ratio"
-     if (namepro == "young2d")    title="Young\'s modulus"
+     if (namepro == "young2d" .or. namepro == "2dyoung")    title="Young\'s modulus"
      if (namepro == "bulk2d")    title="Bulk modulus"
-     if (namepro == "shear2d")    title="Shear modulus"
+     if (namepro == "shear2d" .or. namepro == "2dshear")    title="Shear modulus"
      if (namepro == "com2d" )    title="Linear compressibility"
      if (namepro == "hard2d" )    title="Hardness"
      if (namepro == "pp2d" )    title="P-mode of Phase velocity"

soc/html_gerdata_polar.f90

@@ -17,13 +17,44 @@ SUBROUTINE get_dataplotly_polar( namepro,rtheta, n_phif,n_thetaf,cutmesh,type_pr
                                            VVP_i_x, VVP_P_y, VVP_SF_z,VVP_SS_k,&
                                            VVG_i_x, VVG_P_y, VVG_SF_z,VVG_SS_k,&
                                            VVF_i_x, VVF_P_y, VVF_SF_z,VVF_SS_k,&
-                                           km_x, km_y 
+                                           km_x, km_y ,temp_x, temp_y
 
   INTEGER,          DIMENSION(190300,4) :: mesh=0
-  INTEGER                               :: n_phif, n_thetaf,cutmesh ,num_mesh,i,ii,argl,k,&
+  INTEGER                               :: n_phif, n_thetaf,cutmesh ,num_mesh,i,ii,argl,k,io,tem_i,&
                                            start_new_reng,end_new_reng,rtheta
   character(len=10)                     :: val='',namepro ,type_pro ! type_pro : max, min, neg
 
+
+IF (namepro=="2dpoi" .OR. namepro=="2dshear" .OR. namepro=="2dyoung" .OR. namepro=="2dyou" .OR. namepro=="2dshe") THEN
+   tem_i=0
+       OPEN(12, file="young_2d_sys.dat")
+       DO
+        tem_i=tem_i + 1
+        READ(12,*, iostat = io ) temp_x, temp_y
+        if (io < 0) exit
+       ENDDO
+       Close(12)
+!---------------------------------------------------       
+ IF (namepro=="2dyoung") THEN
+  !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! loop-READer
+  DO ii=1,tem_i+1
+    open(10, file="young_2d_sys.dat")
+    READ(10,*) young_x(ii),young_y(ii) 
+  ENDDO
+   CLOSE(10)
+  !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! end loop
+  If(type_pro=='max') THEN
+   If(rtheta==1) THEN
+    DO i=1,tem_i+1
+        WRITE(66,"(F23.15,A)") young_x(i),","
+    ENDDO
+   endif
+  Endif
+ ENDIF 
+!===========================================      
+
+ENDIF
+
 !=============================================READ mesh
     OPEN(69, file="MESH")
     READ(69,*)n_phif,n_thetaf,cutmesh
@@ -517,4 +548,5 @@ SUBROUTINE get_dataplotly_polar( namepro,rtheta, n_phif,n_thetaf,cutmesh,type_pr
   endif
  Endif
 ENDIF
+!$============================================================================================
  end SUBROUTINE

soc/html_swin.f90

@@ -27,12 +27,12 @@ SUBROUTINE swin_web(namepro)
  if (namepro=="gs"     )WRITE(66,"(3a)")"</style><title> Spatial dependence of Group-Slow velocity </title>"
  if (namepro=="km"  )WRITE(66,"(3a)")"</style><title> Spatial dependence of of Min. thermal conductivity </title>" 
  !--------------------------------------------- 
-  if (namepro=="young2d")WRITE(66,"(3a)")"</style><title> Orientation dependence of Young's modulus </title>" 
+  if (namepro=="young2d" .or. namepro=="2dyoung")WRITE(66,"(3a)")"</style><title> Orientation dependence of Young's modulus </title>" 
   if (namepro=="bulk2d" )WRITE(66,"(3a)")"</style><title> Orientation dependence of Bulk modulus </title>" 
   if (namepro=="pugh2d" )WRITE(66,"(3a)")"</style><title> Orientation dependence of Pugh's ratio </title>"  
-  if (namepro=="shear2d")WRITE(66,"(3a)")"</style><title> Orientation dependence of Shear modulus </title>"  
+  if (namepro=="shear2d" .or. namepro=="2dshear")WRITE(66,"(3a)")"</style><title> Orientation dependence of Shear modulus </title>"  
   if (namepro=="com2d"  )WRITE(66,"(3a)")"</style><title> Orientation dependence of linear compressibility </title>"  
-  if (namepro=="poi2d"  )WRITE(66,"(3a)")"</style><title> Orientation dependence of Poisson's ratio </title>"  
+  if (namepro=="poi2d" .or. namepro=="2dpoi"  )WRITE(66,"(3a)")"</style><title> Orientation dependence of Poisson's ratio </title>"  
   if (namepro=="hard2d" )WRITE(66,"(3a)")"</style><title> Orientation dependence of Hardness </title>"  
   if (namepro=="pp2d"   )WRITE(66,"(3a)")"</style><title> Orientation dependence of Phase-P velocity </title>"  
   if (namepro=="ps2d"   )WRITE(66,"(3a)")"</style><title> Orientation dependence of Phase-Fast velocity </title>"  

soc/wrl_main.f90

@@ -66,7 +66,7 @@ PROGRAM wrl_conv
 
   DOUBLE PRECISION, DIMENSION(1910000)  :: datapoints=0d0
   DOUBLE PRECISION, DIMENSION(1910000)  :: G_max,shminp,shminn,shavep,SINver,CO,comminp,pugh_max,pughminp,pughminn,pughavep,&
-		                                       comminn,NPratio_max,pminp,pminn,pavep,paven,&
+		                                         comminn,NPratio_max,pminp,pminn,pavep,paven,&
                                            BINver,maxEVaLM1,maxEVaTM1,minEVaTM1,VVG_P,VVP_P,VV_P_PF,VVG_Sf,VVP_Sf,VV_Sf_PF,hardvar ,&
                                            VVG_Ss,VVP_Ss,VV_Ss_PF,km
   ChARACTER(len=7), dimension(10)       :: arg_mane