mirror of https://gitlab.com/QEF/q-e.git
renamed energy_current to QEHeat
This commit is contained in:
parent
6fa1517c84
commit
5e3fadd7ec
4
Makefile
4
Makefile
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@ -127,8 +127,8 @@ epw: phlibs
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cd ../bin; ln -fs ../EPW/bin/epw.x . ); fi
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cd ../bin; ln -fs ../EPW/bin/epw.x . ); fi
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all_currents:
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all_currents:
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if test -d energy_current ; then \
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if test -d QEHeat ; then \
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( cd energy_current ; $(MAKE) all || exit 1; ) ; fi
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( cd QEHeat ; $(MAKE) all || exit 1; ) ; fi
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travis : pwall epw
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travis : pwall epw
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if test -d test-suite ; then \
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if test -d test-suite ; then \
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@ -1,4 +1,4 @@
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input_description -distribution {Quantum Espresso} -package energy_current -program all_currents.x {
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input_description -distribution {Quantum Espresso} -package QEHeat -program all_currents.x {
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toc {}
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toc {}
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@ -46,7 +46,7 @@
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<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; ">
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<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; ">
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<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
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<h1 style="margin: 10 10 10 15; text-align: left;"> Input File Description </h1>
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<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
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<h2 style="margin: 10 10 10 15; text-align: left;"> Program:
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all_currents.x / energy_current / Quantum Espresso<span style="font-weight: normal;"> (version: git)</span>
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all_currents.x / QEHeat / Quantum Espresso<span style="font-weight: normal;"> (version: git)</span>
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</h2>
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</h2>
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</th></tr>
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</th></tr>
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<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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<tr><td style="padding: 10 3 3 3; background: #ffffff; color: #222222; ">
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@ -554,7 +554,7 @@ You may want to specify startingwfc = 'random' in the ELECTRONS namelist.
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</td></tr>
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</td></tr>
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</table>
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</table>
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<small>
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<small>
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This file has been created by helpdoc utility on Thu Jan 14 16:17:57 CET 2021.
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This file has been created by helpdoc utility on Thu May 20 22:37:18 CEST 2021.
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</small>
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</small>
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</body>
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</body>
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</html>
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</html>
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@ -3,7 +3,7 @@
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------------------------------------------------------------------------
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------------------------------------------------------------------------
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INPUT FILE DESCRIPTION
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INPUT FILE DESCRIPTION
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Program: all_currents.x / energy_current / Quantum Espresso (version: git)
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Program: all_currents.x / QEHeat / Quantum Espresso (version: git)
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------------------------------------------------------------------------
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------------------------------------------------------------------------
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@ -342,4 +342,4 @@ NAMELIST: &ENERGY_CURRENT
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===END OF NAMELIST======================================================
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===END OF NAMELIST======================================================
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This file has been created by helpdoc utility on Thu Jan 14 16:17:56 CET 2021
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This file has been created by helpdoc utility on Thu May 20 22:37:18 CEST 2021
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@ -2,7 +2,7 @@
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<?xml-stylesheet type="text/xsl" href="input_xx.xsl"?>
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<?xml-stylesheet type="text/xsl" href="input_xx.xsl"?>
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<!-- FILE AUTOMATICALLY CREATED: DO NOT EDIT, CHANGES WILL BE LOST -->
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<!-- FILE AUTOMATICALLY CREATED: DO NOT EDIT, CHANGES WILL BE LOST -->
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<input_description distribution="Quantum Espresso" package="energy_current" program="all_currents.x" >
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<input_description distribution="Quantum Espresso" package="QEHeat" program="all_currents.x" >
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<toc>
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<toc>
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</toc>
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</toc>
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<intro>
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<intro>
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@ -1,4 +1,4 @@
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# Makefile for energy_current
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# Makefile for QEHeat
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sinclude ../make.inc
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sinclude ../make.inc
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default: all
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default: all
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@ -59,7 +59,7 @@ cpv-traj-test.x : $(TEST_CPV_TRAJ_OBJ)
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all_currents.x : all_currents.o lib_all_currents.a $(ALLCURRENTSOBJS) $(PWOBJS) $(QEMODS) $(TEST_CPV_TRAJ_OBJ)
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all_currents.x : all_currents.o lib_all_currents.a $(ALLCURRENTSOBJS) $(PWOBJS) $(QEMODS) $(TEST_CPV_TRAJ_OBJ)
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$(LD) $(LDFLAGS) -o $@ \
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$(LD) $(LDFLAGS) -o $@ \
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all_currents.o lib_all_currents.a $(TEST_CPV_TRAJ_OBJ) $(PWOBJS) $(QEMODS) $(LIBOBJS) $(LIBS) $(QEMODS) $(LIBOBJS)
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all_currents.o lib_all_currents.a $(TEST_CPV_TRAJ_OBJ) $(PWOBJS) $(QEMODS) $(LIBOBJS) $(LIBS) $(QEMODS) $(LIBOBJS)
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- ( cd ../../bin ; ln -fs ../energy_current/src/$@ . )
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- ( cd ../../bin ; ln -fs ../QEHeat/src/$@ . )
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tldeps:
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tldeps:
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@ -38,7 +38,7 @@ pseudo :
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@./check_pseudo.sh tddfpt_
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@./check_pseudo.sh tddfpt_
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@./check_pseudo.sh hp_
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@./check_pseudo.sh hp_
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@./check_pseudo.sh ph_
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@./check_pseudo.sh ph_
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@./check_pseudo.sh energy_current_
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@./check_pseudo.sh QEHeat_
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run-tests : run-tests-serial
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run-tests : run-tests-serial
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@ -227,10 +227,10 @@ clean:
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# Cleaning TDDFPT final files
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# Cleaning TDDFPT final files
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@rm -rf tddfpt_*/*.plot_chi.dat tddfpt_*/*.plot_eps.dat tddfpt_*/out/ tddfpt_*/turbo_spectrum.out
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@rm -rf tddfpt_*/*.plot_chi.dat tddfpt_*/*.plot_eps.dat tddfpt_*/out/ tddfpt_*/turbo_spectrum.out
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# all_currents files
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# all_currents files
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@for x in `find energy_current_* -name "test*"`; do rm -rf $$x; done
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@for x in `find QEHeat_* -name "test*"`; do rm -rf $$x; done
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@for x in `find energy_current_* -name "CRASH"`; do rm -rf $$x; done
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@for x in `find QEHeat_* -name "CRASH"`; do rm -rf $$x; done
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@rm -rf energy_current_*/save \
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@rm -rf QEHeat_*/save \
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energy_current_*/current_hz*
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QEHeat_*/current_hz*
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@rm -f userconfig
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@rm -f userconfig
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@ -238,4 +238,4 @@ clean:
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purge: clean
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purge: clean
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@for x in `find pw_* -name "benchmark*"`; do rm -rf $$x; done
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@for x in `find pw_* -name "benchmark*"`; do rm -rf $$x; done
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@for x in `find cp_* -name "benchmark*"`; do rm -rf $$x; done
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@for x in `find cp_* -name "benchmark*"`; do rm -rf $$x; done
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@for x in `find energy_current_* -name "benchmark*"`; do rm -rf $$x; done
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@for x in `find QEHeat_* -name "benchmark*"`; do rm -rf $$x; done
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@ -230,14 +230,14 @@ program = ZG
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[hp_*/]
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[hp_*/]
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program = HP
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program = HP
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[energy_current_rotation/]
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[QEHeat_rotation/]
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program = h2o_mol
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program = QEHeat_h2o_mol
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[energy_current_translation/]
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[QEHeat_translation/]
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program = translation
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program = QEHeat_translation
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[energy_current_h2o]
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[QEHeat_h2o]
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program = h2o_mol_t
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program = QEHeat_h2o_mol_t
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@ -251,5 +251,5 @@ hp_all = hp_*??
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epw_partial = epw_base epw_trev epw_trev_uspp epw_metal epw_soc epw_super epw_polar epw_pl epw_mob
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epw_partial = epw_base epw_trev epw_trev_uspp epw_metal epw_soc epw_super epw_polar epw_pl epw_mob
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zg_all = zg_*??
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zg_all = zg_*??
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tddfpt_all = tddfpt_*??
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tddfpt_all = tddfpt_*??
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all_currents_all = energy_current_*
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all_currents_all = QEHeat_*
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_default_ = pw_*?? cp_*?? ph_*?? epw_*?? tddfpt_*?? hp_*?? all_currents_*??
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_default_ = pw_*?? cp_*?? ph_*?? epw_*?? tddfpt_*?? hp_*?? all_currents_*??
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@ -177,7 +177,7 @@ tolerance = ( (1.0e-5, 1.0e-4, 'e1') ,
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skip_program = grep
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skip_program = grep
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skip_args = 'not present in this version'
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skip_args = 'not present in this version'
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[h2o_mol_t]
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[QEHeat_h2o_mol_t]
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exe = XXXXXX/test-suite/run-all_currents.x
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exe = XXXXXX/test-suite/run-all_currents.x
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extract_program = XXXXXX/test-suite/extract-all_currents.x
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extract_program = XXXXXX/test-suite/extract-all_currents.x
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inputs_args = ('*.in', '')
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inputs_args = ('*.in', '')
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@ -186,7 +186,7 @@ tolerance = ( (1.0e-1, 2.5e-5 ) )
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skip_program = grep
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skip_program = grep
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skip_args = 'not present in this version'
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skip_args = 'not present in this version'
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[h2o_mol]
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[QEHeat_h2o_mol]
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exe = XXXXXX/test-suite/run-all_currents.x
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exe = XXXXXX/test-suite/run-all_currents.x
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extract_program = XXXXXX/test-suite/extract-all_currents.x
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extract_program = XXXXXX/test-suite/extract-all_currents.x
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inputs_args = ('*.in', '')
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inputs_args = ('*.in', '')
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@ -195,7 +195,7 @@ tolerance = ( (1.0e-1, 1.0e-7 ) )
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skip_program = grep
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skip_program = grep
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skip_args = 'not present in this version'
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skip_args = 'not present in this version'
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[translation]
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[QEHeat_translation]
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exe = XXXXXX/test-suite/run-all_currents.x
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exe = XXXXXX/test-suite/run-all_currents.x
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extract_program = XXXXXX/test-suite/extract-all_currents.x
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extract_program = XXXXXX/test-suite/extract-all_currents.x
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inputs_args = ('*.in', '')
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inputs_args = ('*.in', '')
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