Add h2oresp test directory with test of response

19ec8c40 · Francois Gygi · f5018ad0 · 19ec8c40 · 19ec8c40 · 19ec8c40
Commit 19ec8c40 authored Aug 19, 2018 by Francois Gygi
6 changed files
--- a/test/h2oresp/H_HSCV_PBE-1.0.xml
+++ b/test/h2oresp/H_HSCV_PBE-1.0.xml
+../potentials/H_HSCV_PBE-1.0.xml
\ No newline at end of file
--- a/test/h2oresp/Makefile
+++ b/test/h2oresp/Makefile
+include ../Makefile.inc
+all: test.r
+clean:
+	rm -f test.r
+
+test.r: test.i
+	$(QBOX_CMD) $^ > $@
--- a/test/h2oresp/O_HSCV_PBE-1.0.xml
+++ b/test/h2oresp/O_HSCV_PBE-1.0.xml
+../potentials/O_HSCV_PBE-1.0.xml
\ No newline at end of file
--- a/test/h2oresp/sample.xsd
+++ b/test/h2oresp/sample.xsd
+../../xml/sample.xsd
\ No newline at end of file
--- a/test/h2oresp/species.xsd
+++ b/test/h2oresp/species.xsd
+../../xml/species.xsd
\ No newline at end of file
--- a/test/h2oresp/test.i
+++ b/test/h2oresp/test.i
+load ../h2ogs/test.xml
+set wf_dyn PSDA
+set polarization MLWF_REF
+response 0.0001 10