renamed energy_current to QEHeat

Makefile

@@ -127,8 +127,8 @@ epw: phlibs
 		cd ../bin; ln -fs ../EPW/bin/epw.x . ); fi
 
 all_currents:
-	if test -d energy_current ; then \
-	( cd energy_current ; $(MAKE) all || exit 1; ) ; fi
+	if test -d QEHeat ; then \
+	( cd QEHeat ; $(MAKE) all || exit 1; ) ; fi
 
 travis : pwall epw
 	if test -d test-suite ; then \

QEHeat/Doc/INPUT_ALL_CURRENTS.def

@@ -1,4 +1,4 @@
-input_description -distribution {Quantum Espresso} -package energy_current -program all_currents.x {
+input_description -distribution {Quantum Espresso} -package QEHeat -program all_currents.x {
 
     toc {}
 

QEHeat/Doc/INPUT_ALL_CURRENTS.html

@@ -46,7 +46,7 @@
 <tr><th style="margin: 3 3 3 10; background: #005789; background: linear-gradient(rgba(0,87,137,1),rgba(0,119,189,1)); color: #ffffee; ">
 <h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
 <h2 style="margin: 10 10 10 15; text-align: left;"> Program:
-	      all_currents.x / energy_current / Quantum Espresso<span style="font-weight: normal;"> (version: git)</span>
+	      all_currents.x / QEHeat / Quantum Espresso<span style="font-weight: normal;"> (version: git)</span>
 </h2>
 </th></tr>
 <tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
@@ -554,7 +554,7 @@ You may want to specify startingwfc = 'random' in the ELECTRONS namelist.
 </td></tr>
 </table>
 <small>
-	  This file has been created by helpdoc utility on Thu Jan 14 16:17:57 CET 2021.
+	  This file has been created by helpdoc utility on Thu May 20 22:37:18 CEST 2021.
 	</small>
 </body>
 </html>

QEHeat/Doc/INPUT_ALL_CURRENTS.txt

@@ -3,7 +3,7 @@
 ------------------------------------------------------------------------
 INPUT FILE DESCRIPTION
 
-Program: all_currents.x / energy_current / Quantum Espresso (version: git)
+Program: all_currents.x / QEHeat / Quantum Espresso (version: git)
 ------------------------------------------------------------------------
 
 
@@ -342,4 +342,4 @@ NAMELIST: &ENERGY_CURRENT
 ===END OF NAMELIST======================================================
 
 
-This file has been created by helpdoc utility on Thu Jan 14 16:17:56 CET 2021
+This file has been created by helpdoc utility on Thu May 20 22:37:18 CEST 2021

QEHeat/Doc/INPUT_ALL_CURRENTS.xml

@@ -2,7 +2,7 @@
 <?xml-stylesheet type="text/xsl" href="input_xx.xsl"?>
 <!-- FILE AUTOMATICALLY CREATED: DO NOT EDIT, CHANGES WILL BE LOST -->
     
-<input_description distribution="Quantum Espresso" package="energy_current" program="all_currents.x" >
+<input_description distribution="Quantum Espresso" package="QEHeat" program="all_currents.x" >
    <toc>
    </toc>
    <intro>

QEHeat/Makefile

@@ -1,4 +1,4 @@
-# Makefile for energy_current
+# Makefile for QEHeat
 sinclude ../make.inc
 
 default: all

QEHeat/src/Makefile

@@ -59,7 +59,7 @@ cpv-traj-test.x : $(TEST_CPV_TRAJ_OBJ)
 all_currents.x : all_currents.o lib_all_currents.a $(ALLCURRENTSOBJS) $(PWOBJS) $(QEMODS)   $(TEST_CPV_TRAJ_OBJ)
 	$(LD) $(LDFLAGS) -o $@ \
 		all_currents.o lib_all_currents.a  $(TEST_CPV_TRAJ_OBJ) $(PWOBJS) $(QEMODS) $(LIBOBJS) $(LIBS) $(QEMODS) $(LIBOBJS)
-	- ( cd ../../bin ; ln -fs ../energy_current/src/$@ . )
+	- ( cd ../../bin ; ln -fs ../QEHeat/src/$@ . )
 
  
 tldeps:

test-suite/Makefile

@@ -38,7 +38,7 @@ pseudo :
 	@./check_pseudo.sh tddfpt_
 	@./check_pseudo.sh hp_
 	@./check_pseudo.sh ph_
-	@./check_pseudo.sh energy_current_
+	@./check_pseudo.sh QEHeat_
 
 run-tests : run-tests-serial
 
@@ -227,10 +227,10 @@ clean:
 # Cleaning TDDFPT final files
 	@rm -rf tddfpt_*/*.plot_chi.dat tddfpt_*/*.plot_eps.dat tddfpt_*/out/ tddfpt_*/turbo_spectrum.out
 # all_currents files
-	@for x in `find energy_current_* -name "test*"`; do rm -rf $$x; done
-	@for x in `find energy_current_* -name "CRASH"`; do rm -rf $$x; done
-	@rm -rf energy_current_*/save \
-                energy_current_*/current_hz*
+	@for x in `find QEHeat_* -name "test*"`; do rm -rf $$x; done
+	@for x in `find QEHeat_* -name "CRASH"`; do rm -rf $$x; done
+	@rm -rf QEHeat_*/save \
+                QEHeat_*/current_hz*
 	@rm -f userconfig
 
 
@@ -238,4 +238,4 @@ clean:
 purge: clean
 	@for x in `find pw_* -name "benchmark*"`; do rm -rf $$x; done
 	@for x in `find cp_* -name "benchmark*"`; do rm -rf $$x; done
-	@for x in `find energy_current_* -name "benchmark*"`; do rm -rf $$x; done
+	@for x in `find QEHeat_* -name "benchmark*"`; do rm -rf $$x; done

test-suite/jobconfig

@@ -230,14 +230,14 @@ program = ZG
 [hp_*/]
 program = HP
 
-[energy_current_rotation/]
-program = h2o_mol
+[QEHeat_rotation/]
+program = QEHeat_h2o_mol
 
-[energy_current_translation/]
-program = translation
+[QEHeat_translation/]
+program = QEHeat_translation
 
-[energy_current_h2o]
-program = h2o_mol_t
+[QEHeat_h2o]
+program = QEHeat_h2o_mol_t
 
 
 
@@ -251,5 +251,5 @@ hp_all = hp_*??
 epw_partial = epw_base epw_trev epw_trev_uspp epw_metal epw_soc epw_super epw_polar epw_pl epw_mob 
 zg_all = zg_*??
 tddfpt_all = tddfpt_*??
-all_currents_all = energy_current_*
+all_currents_all = QEHeat_*
 _default_ = pw_*?? cp_*?? ph_*?? epw_*?? tddfpt_*?? hp_*?? all_currents_*??

test-suite/userconfig.tmp

@@ -177,7 +177,7 @@ tolerance = ( (1.0e-5, 1.0e-4, 'e1') ,
 skip_program = grep
 skip_args = 'not present in this version'
 
-[h2o_mol_t]
+[QEHeat_h2o_mol_t]
 exe = XXXXXX/test-suite/run-all_currents.x
 extract_program = XXXXXX/test-suite/extract-all_currents.x
 inputs_args = ('*.in', '')
@@ -186,7 +186,7 @@ tolerance = ( (1.0e-1, 2.5e-5 ) )
 skip_program = grep
 skip_args = 'not present in this version'
 
-[h2o_mol]
+[QEHeat_h2o_mol]
 exe = XXXXXX/test-suite/run-all_currents.x
 extract_program = XXXXXX/test-suite/extract-all_currents.x
 inputs_args = ('*.in', '')
@@ -195,7 +195,7 @@ tolerance = ( (1.0e-1, 1.0e-7 ) )
 skip_program = grep
 skip_args = 'not present in this version'
 
-[translation]
+[QEHeat_translation]
 exe = XXXXXX/test-suite/run-all_currents.x
 extract_program = XXXXXX/test-suite/extract-all_currents.x
 inputs_args = ('*.in', '')