Version 5.3.0, Revision 23927, Hash 1730222

MODIFIED *  configure include/version/version.m4 nloptics/NL_Berry_current.F nloptics/NL_build_dG_lesser.F nloptics/NL_build_valence_bands.F

Bugs:
-

Additions:
 -Added doxygen doc to more files

Changes:
-

Patch sent by:  Claudio Attaccalite <claudio.attaccalite@gmail.com>

configure

@@ -1,6 +1,6 @@
 #! /bin/sh
 # Guess values for system-dependent variables and create Makefiles.
-# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23926 h.469db7275.
+# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23927 h.1730222ea.
 #
 # Report bugs to <yambo@yambo-code.org>.
 #
@@ -610,8 +610,8 @@ MAKEFLAGS=
 # Identity of this package.
 PACKAGE_NAME='Yambo'
 PACKAGE_TARNAME='yambo'
-PACKAGE_VERSION='5.3.0 r.23926 h.469db7275'
-PACKAGE_STRING='Yambo 5.3.0 r.23926 h.469db7275'
+PACKAGE_VERSION='5.3.0 r.23927 h.1730222ea'
+PACKAGE_STRING='Yambo 5.3.0 r.23927 h.1730222ea'
 PACKAGE_BUGREPORT='yambo@yambo-code.org'
 PACKAGE_URL=''
 
@@ -1659,7 +1659,7 @@ if test "$ac_init_help" = "long"; then
   # Omit some internal or obsolete options to make the list less imposing.
   # This message is too long to be a string in the A/UX 3.1 sh.
   cat <<_ACEOF
-\`configure' configures Yambo 5.3.0 r.23926 h.469db7275 to adapt to many kinds of systems.
+\`configure' configures Yambo 5.3.0 r.23927 h.1730222ea to adapt to many kinds of systems.
 
 Usage: $0 [OPTION]... [VAR=VALUE]...
 
@@ -1725,7 +1725,7 @@ fi
 
 if test -n "$ac_init_help"; then
   case $ac_init_help in
-     short | recursive ) echo "Configuration of Yambo 5.3.0 r.23926 h.469db7275:";;
+     short | recursive ) echo "Configuration of Yambo 5.3.0 r.23927 h.1730222ea:";;
    esac
   cat <<\_ACEOF
 
@@ -1967,7 +1967,7 @@ fi
 test -n "$ac_init_help" && exit $ac_status
 if $ac_init_version; then
   cat <<\_ACEOF
-Yambo configure 5.3.0 r.23926 h.469db7275
+Yambo configure 5.3.0 r.23927 h.1730222ea
 generated by GNU Autoconf 2.71
 
 Copyright (C) 2021 Free Software Foundation, Inc.
@@ -2596,7 +2596,7 @@ cat >config.log <<_ACEOF
 This file contains any messages produced by compilers while
 running configure, to aid debugging if configure makes a mistake.
 
-It was created by Yambo $as_me 5.3.0 r.23926 h.469db7275, which was
+It was created by Yambo $as_me 5.3.0 r.23927 h.1730222ea, which was
 generated by GNU Autoconf 2.71.  Invocation command line was
 
   $ $0$ac_configure_args_raw
@@ -3354,8 +3354,8 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu
 SVERSION="5"
 SSUBVERSION="3"
 SPATCHLEVEL="0"
-SREVISION="23926"
-SHASH="469db7275"
+SREVISION="23927"
+SHASH="1730222ea"
 
 
 
@@ -17784,7 +17784,7 @@ cat >>$CONFIG_STATUS <<\_ACEOF || ac_write_fail=1
 # report actual input values of CONFIG_FILES etc. instead of their
 # values after options handling.
 ac_log="
-This file was extended by Yambo $as_me 5.3.0 r.23926 h.469db7275, which was
+This file was extended by Yambo $as_me 5.3.0 r.23927 h.1730222ea, which was
 generated by GNU Autoconf 2.71.  Invocation command line was
 
   CONFIG_FILES    = $CONFIG_FILES
@@ -17848,7 +17848,7 @@ ac_cs_config_escaped=`printf "%s\n" "$ac_cs_config" | sed "s/^ //; s/'/'\\\\\\\\
 cat >>$CONFIG_STATUS <<_ACEOF || ac_write_fail=1
 ac_cs_config='$ac_cs_config_escaped'
 ac_cs_version="\\
-Yambo config.status 5.3.0 r.23926 h.469db7275
+Yambo config.status 5.3.0 r.23927 h.1730222ea
 configured by $0, generated by GNU Autoconf 2.71,
   with options \\"\$ac_cs_config\\"
 

include/version/version.m4

@@ -1,9 +1,9 @@
-AC_INIT(Yambo, 5.3.0 r.23926 h.469db7275, yambo@yambo-code.org)
+AC_INIT(Yambo, 5.3.0 r.23927 h.1730222ea, yambo@yambo-code.org)
 SVERSION="5"
 SSUBVERSION="3"
 SPATCHLEVEL="0"
-SREVISION="23926"
-SHASH="469db7275"
+SREVISION="23927"
+SHASH="1730222ea"
 AC_SUBST(SVERSION)
 AC_SUBST(SSUBVERSION)
 AC_SUBST(SPATCHLEVEL)

src/nloptics/NL_Berry_current.F

@@ -5,6 +5,15 @@
 !
 ! Authors (see AUTHORS file for details): CA
 !
+!> @brief Calculate current using the Souza-Iniguez-Vanderbilt formulation
+!!
+!! @param[in]       V_bands			time-dependent valence bands
+!! @param[in]       k_map			k-points map in the BZ
+!! @param[in]       Xk				k-points indexes
+!! @param[in]       en				energies array
+!!
+!! @param[out]      NL_J			current vector
+!
 subroutine NL_Berry_current(en,Xk,k_map,V_bands,NL_J)
  !
  ! Evalute current using Eq. D1 of Souza et al. 

src/nloptics/NL_build_dG_lesser.F

@@ -5,6 +5,13 @@
 !
 ! Authors (see AUTHORS file for details): MG CA
 !
+!> @brief Calculate the density matrix variation \Delta \rho_{ij}
+!!
+!! @param[in]       V_bands                     time-dependent valence bands
+!! @param[in]       en                          energies array
+!!
+!! @param[out]      dG                          \Delta G-lesser diagonal part = -i\rho
+!
 subroutine NL_build_dG_lesser(en,V_bands,dG) 
  !
  ! Construct dG = G_lesser(t) - G_lesser(t=0) 

src/nloptics/NL_build_valence_bands.F

@@ -5,7 +5,14 @@
 !
 ! Authors (see AUTHORS file for details): CA
 !
-!> @brief Construct time-dependent valence bands V(i_G,i_v,i_k,i_spin)
+!> @brief Construct time-dependent valence bands in g-space
+!
+!! @param[in]       V_input                     time-dependent valence bands
+!! @param[in]       en                          energies array
+!! @param[in]       lowest_bands		lowest valence band in the dynamics
+!! @param[in]       WF				Kohn-Sham wavefunctions in g-space
+!!
+!! @param[out]      VAL_BANDS                   time-dependent valence bands in g-space
 !     
 subroutine NL_build_valence_bands(en,V_input,VAL_BANDS,lowest_band) 
  !