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Documentation in dist
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18
Makefile.am
18
Makefile.am
@ -87,6 +87,23 @@ tests_test_f_SOURCES = $(test_trexio_f) tests/test_f.f90
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tests_test_f_LDADD = src/libtrexio.la
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tests_test_f_LDADD = src/libtrexio.la
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tests_test_f_LDFLAGS = -no-install
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tests_test_f_LDFLAGS = -no-install
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HTML_FILES = docs/trexio.css \
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docs/index.html \
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docs/Sparse.html \
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docs/templator_hdf5.html \
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docs/trex.html \
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docs/README.html \
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docs/templator_front.html \
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docs/templator_text.html
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htmldir = $(docdir)
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dist_html_DATA = $(HTML_FILES)
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docs/index.html: $(SOURCES) src/README.org
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cd tools && ./build_doc.sh
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$(HTML_FILES): docs/index.html
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$(test_trexio_f): $(trexio_f)
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$(test_trexio_f): $(trexio_f)
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cp $(trexio_f) $(test_trexio_f)
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cp $(trexio_f) $(test_trexio_f)
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@ -99,6 +116,7 @@ CLEANFILES += $(SOURCES) $(trexio_f) $(trexio_h)
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BUILT_SOURCES = $(SOURCES) $(trexio_f) $(test_trexio_f)
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BUILT_SOURCES = $(SOURCES) $(trexio_f) $(test_trexio_f)
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$(SOURCES): $(trexio_f)
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$(SOURCES): $(trexio_f)
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src/trexio.c: $(trexio_h)
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src/trexio.c: $(trexio_h)
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@ -2,7 +2,7 @@
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# Process this file with autoconf to produce a configure script.
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# Process this file with autoconf to produce a configure script.
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AC_PREREQ([2.69])
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AC_PREREQ([2.69])
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AC_INIT([trexio], [0.2.0], [https://github.com/TREX-CoE/trexio/issues])
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AC_INIT([trexio], [0.3.0], [https://github.com/TREX-CoE/trexio/issues])
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AM_INIT_AUTOMAKE([subdir-objects color-tests parallel-tests silent-rules 1.11])
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AM_INIT_AUTOMAKE([subdir-objects color-tests parallel-tests silent-rules 1.11])
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AM_MAINTAINER_MODE()
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AM_MAINTAINER_MODE()
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LT_INIT
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LT_INIT
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@ -4,6 +4,7 @@
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------------------
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------------------
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- [[./trex.html][Data stored with TREXIO]]
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- [[./templator_front.html][Front end API]]
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- [[./templator_front.html][Front end API]]
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- [[./templator_hdf5.html][HDF5 back end]]
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- [[./templator_hdf5.html][HDF5 back end]]
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- [[./templator_text.html][TEXT back end]]
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- [[./templator_text.html][TEXT back end]]
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@ -99,10 +99,11 @@ function main() {
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# Create documentation
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# Create documentation
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cd ${SRC}
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cd ${SRC}
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for dir in ${SRC}/templates_*/
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for dir in ${SRC}/templates_*/ ${TREXIO_ROOT}/
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do
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do
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dir=${dir%*/}
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dir=${dir%*/}
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echo ${dir}
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echo ${dir}
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OLDPWD=$PWD
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cd ${dir}
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cd ${dir}
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for i in *.org
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for i in *.org
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do
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do
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@ -110,7 +111,7 @@ function main() {
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echo "======= ${i} ======="
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echo "======= ${i} ======="
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extract_doc ${i} ${dir}
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extract_doc ${i} ${dir}
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done
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done
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cd ..
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cd $OLDPWD
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done
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done
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echo
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echo
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6
trex.org
6
trex.org
@ -460,7 +460,7 @@ prim_factor =
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** One-electron integrals
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** One-electron integrals
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The operators as the same as those defined in the
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The operators as the same as those defined in the
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[[ao_one_e][AO one-electron integrals section]]. Here, the integrals are given in
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[[#ao_one_e][AO one-electron integrals section]]. Here, the integrals are given in
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the basis of molecular orbitals.
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the basis of molecular orbitals.
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#+NAME: mo_1e_int
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#+NAME: mo_1e_int
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@ -490,7 +490,7 @@ prim_factor =
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** Two-electron integrals
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** Two-electron integrals
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The operators as the same as those defined in the
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The operators as the same as those defined in the
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[[ao_two_e][AO two-electron integrals section]]. Here, the integrals are given in
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[[#ao_one_e][AO one-electron integrals section]]. Here, the integrals are given in
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the basis of molecular orbitals.
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the basis of molecular orbitals.
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#+NAME: mo_2e_int
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#+NAME: mo_2e_int
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@ -532,7 +532,7 @@ prim_factor =
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#+end_src
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#+end_src
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:end:
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:end:
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* Appendix :noexport:
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* Appendix
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** Python script from table to json
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** Python script from table to json
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#+NAME: json
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#+NAME: json
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