Updated/extended the list of references for citations in TDDFPT

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13002 c92efa57-630b-4861-b058-cf58834340f0

TDDFPT/src/lr_dav_main.f90

@@ -143,32 +143,28 @@ CONTAINS
 
     USE lr_variables,        ONLY : no_hxc, d0psi_rs
     USE uspp,                ONLY : okvan
-    USE funct,        only : dft_is_hybrid
+    USE funct,               ONLY : dft_is_hybrid
     USE martyna_tuckerman,   ONLY : do_comp_mt
+#if defined(__ENVIRON)
+    USE plugin_flags,        ONLY : use_environ
+#endif
 
     IMPLICIT NONE
-
-!    WRITE( stdout, '(/5x,"----------------------------------------")' )
-!    WRITE( stdout, '(/5x,"")' )
-!    WRITE( stdout, '(/5x,"Please cite this project as:  ")' )
-!    WRITE( stdout, '(/5x,"O.B. Malcioglu, R. Gebauer, D. Rocca, S. Baroni,")' )
-!    WRITE( stdout, '(/5x,"""turboTDDFT – a code for the simulation of molecular")' )
-!    WRITE( stdout, '(/5x,"spectra using the Liouville-Lanczos approach to")' )
-!    WRITE( stdout, '(/5x,"time-dependent density-functional perturbation theory""")' )
-!    WRITE( stdout, '(/5x,"CPC, 182, 1744 (2011)")' )
-!    WRITE( stdout, '(/5x,"----------------------------------------")' )
     !
-    WRITE( stdout, '(/5x,"----------------------------------------")' )
-    WRITE( stdout, '(/5x,"Welcome using turbo-davidson. For this moment you can report bugs to",/5x, &
-                    & "Xiaochuan Ge: xge@bnl.gov",/5x, &
-                    & "We appreciate a lot your help to make us improve.",/)' )
-
-    WRITE( stdout, '(/5x,"For the publication using this code, we appreciate if you could cite this article:")')
-    WRITE( stdout, '(/15x,"*****************************************")')
-    WRITE( stdout, '(/15x,"*  Comput. Phys. Commun. 185(2014)2080  *")')
-    WRITE( stdout, '(/15x,"*****************************************")')
-    WRITE( stdout, '(/5x,"----------------------------------------",/)' )   
- 
+    WRITE( stdout, '(/5x,"=-----------------------------------------------------------------=")')
+    WRITE( stdout, '(/5x,"Please cite the TDDFPT project as:")')
+    WRITE( stdout, '(7x,"X. Ge, S. J. Binnie, D. Rocca, R. Gebauer, and S. Baroni,")')
+    WRITE( stdout, '(7x,"Comput. Phys. Commun. 185, 2080 (2014)")')
+#if defined(__ENVIRON)
+    IF ( use_environ ) THEN
+      WRITE( stdout, '(5x,"and the TDDFPT+Environ project as:")' )
+      WRITE( stdout, '(7x,"I. Timrov, O. Andreussi, A. Biancardi, N. Marzari, and S. Baroni,")' )
+      WRITE( stdout, '(7x,"J. Chem. Phys. 142, 034111 (2015)")' )
+    ENDIF
+#endif
+    WRITE( stdout, '(5x,"in publications and presentations arising from this work.")' )
+    WRITE( stdout, '(/5x,"=-----------------------------------------------------------------=")')
+    ! 
     IF(okvan) WRITE( stdout, '(/5x,"Ultrasoft (Vanderbilt) Pseudopotentials")' )
     
     IF (do_comp_mt) THEN
@@ -187,6 +183,7 @@ CONTAINS
                      & /5x,"commutator is NOT included hence the f-sum rule will be violated.",   &
                      & /5x,"You can try to use the variable d0psi_rs=.true. (see the documentation).")' )
     ENDIF
+
   END SUBROUTINE lr_print_preamble
 
 END PROGRAM lr_dav_main

TDDFPT/src/lr_main.f90

@@ -308,18 +308,28 @@ SUBROUTINE lr_print_preamble()
     USE funct,               ONLY : dft_is_hybrid
     USE martyna_tuckerman,   ONLY : do_comp_mt
     USE control_flags,       ONLY : do_makov_payne
+#if defined(__ENVIRON)
+    USE plugin_flags,        ONLY : use_environ
+#endif    
 
     IMPLICIT NONE
-
-!    WRITE( stdout, '(/5x,"----------------------------------------")' )
-!    WRITE( stdout, '(/5x,"")' )
-!    WRITE( stdout, '(/5x,"Please cite this project as:  ")' )
-!    WRITE( stdout, '(/5x,"O.B. Malcioglu, R. Gebauer, D. Rocca, S. Baroni,")' )
-!    WRITE( stdout, '(/5x,"""turboTDDFT – a code for the simulation of molecular")' )
-!    WRITE( stdout, '(/5x,"spectra using the Liouville-Lanczos approach to")' )
-!    WRITE( stdout, '(/5x,"time-dependent density-functional perturbation theory""")' )
-!    WRITE( stdout, '(/5x,"CPC, 182, 1744 (2011)")' )
-!    WRITE( stdout, '(/5x,"----------------------------------------")' )
+    !
+    WRITE( stdout, '(/5x,"=-----------------------------------------------------------------=")')
+    WRITE( stdout, '(/5x,"Please cite the TDDFPT project as:")')
+    WRITE( stdout, '(7x,"O. B. Malcioglu, R. Gebauer, D. Rocca, and S. Baroni,")')
+    WRITE( stdout, '(7x,"Comput. Phys. Commun. 182, 1744 (2011)")')
+    WRITE( stdout, '(5x,"and")' )
+    WRITE( stdout, '(7x,"X. Ge, S. J. Binnie, D. Rocca, R. Gebauer, and S. Baroni,")')
+    WRITE( stdout, '(7x,"Comput. Phys. Commun. 185, 2080 (2014)")')
+#if defined(__ENVIRON)
+    IF ( use_environ ) THEN
+      WRITE( stdout, '(5x,"and the TDDFPT+Environ project as:")' )
+      WRITE( stdout, '(7x,"I. Timrov, O. Andreussi, A. Biancardi, N. Marzari, and S. Baroni,")' )
+      WRITE( stdout, '(7x,"J. Chem. Phys. 142, 034111 (2015)")' )
+    ENDIF
+#endif
+    WRITE( stdout, '(5x,"in publications and presentations arising from this work.")' )
+    WRITE( stdout, '(/5x,"=-----------------------------------------------------------------=")')
     !
     IF (okvan) WRITE( stdout, '(/5x,"Ultrasoft (Vanderbilt) Pseudopotentials")' )
     !

TDDFPT/src/make.depend

@@ -56,6 +56,7 @@ lr_apply_liouvillian.o : ../../Modules/mp_global.o
 lr_apply_liouvillian.o : ../../Modules/noncol.o
 lr_apply_liouvillian.o : ../../Modules/plugin_flags.o
 lr_apply_liouvillian.o : ../../Modules/recvec.o
+lr_apply_liouvillian.o : ../../Modules/solvent_tddfpt.o
 lr_apply_liouvillian.o : ../../Modules/uspp.o
 lr_apply_liouvillian.o : ../../Modules/wavefunctions.o
 lr_apply_liouvillian.o : ../../PW/src/newd.o
@@ -161,6 +162,7 @@ lr_dav_debug.o : lr_us.o
 lr_dav_debug.o : lr_variables.o
 lr_dav_main.o : ../../Modules/check_stop.o
 lr_dav_main.o : ../../Modules/control_flags.o
+lr_dav_main.o : ../../Modules/environ_info.o
 lr_dav_main.o : ../../Modules/environment.o
 lr_dav_main.o : ../../Modules/funct.o
 lr_dav_main.o : ../../Modules/io_files.o
@@ -326,6 +328,7 @@ lr_lanczos.o : lr_us.o
 lr_lanczos.o : lr_variables.o
 lr_main.o : ../../Modules/check_stop.o
 lr_main.o : ../../Modules/control_flags.o
+lr_main.o : ../../Modules/environ_info.o
 lr_main.o : ../../Modules/environment.o
 lr_main.o : ../../Modules/fft_base.o
 lr_main.o : ../../Modules/funct.o
@@ -403,6 +406,10 @@ lr_readin.o : ../../LR_Modules/lrcom.o
 lr_readin.o : ../../Modules/cell_base.o
 lr_readin.o : ../../Modules/constants.o
 lr_readin.o : ../../Modules/control_flags.o
+lr_readin.o : ../../Modules/environ_init.o
+lr_readin.o : ../../Modules/environ_input.o
+lr_readin.o : ../../Modules/environ_main.o
+lr_readin.o : ../../Modules/environ_mod.o
 lr_readin.o : ../../Modules/fft_base.o
 lr_readin.o : ../../Modules/funct.o
 lr_readin.o : ../../Modules/input_parameters.o
@@ -419,6 +426,7 @@ lr_readin.o : ../../Modules/noncol.o
 lr_readin.o : ../../Modules/paw_variables.o
 lr_readin.o : ../../Modules/plugin_flags.o
 lr_readin.o : ../../Modules/recvec.o
+lr_readin.o : ../../Modules/solvent_tddfpt.o
 lr_readin.o : ../../Modules/uspp.o
 lr_readin.o : ../../Modules/xml_io_base.o
 lr_readin.o : ../../PW/src/esm.o
@@ -547,6 +555,7 @@ lr_write_restart.o : ../../Modules/noncol.o
 lr_write_restart.o : ../../PW/src/pwcom.o
 lr_write_restart.o : lr_charg_resp.o
 lr_write_restart.o : lr_variables.o
+print_clock_lr.o : ../../Modules/environ_info.o
 print_clock_lr.o : ../../Modules/funct.o
 print_clock_lr.o : ../../Modules/io_global.o
 print_clock_lr.o : ../../Modules/mp_world.o
@@ -571,6 +580,7 @@ stop_lr.o : ../../Modules/mp_global.o
 stop_lr.o : ../../Modules/noncol.o
 stop_lr.o : ../../Modules/parallel_include.o
 stop_lr.o : ../../Modules/plugin_flags.o
+stop_lr.o : ../../Modules/solvent_tddfpt.o
 stop_lr.o : ../../PW/src/buffers.o
 stop_lr.o : ../../PW/src/pwcom.o
 stop_lr.o : lr_variables.o