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https://github.com/TREX-CoE/qmckl.git
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Merge branch 'main' into patch-1
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commit
920f1a01d2
19
.github/workflows/test-build.yml
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.github/workflows/test-build.yml
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name: test-build
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on:
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push:
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branches: [ main ]
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pull_request:
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branches: [ main ]
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jobs:
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build:
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runs-on: ubuntu-latest
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steps:
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- uses: actions/checkout@v2
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- name: install dependencies
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run: sudo apt-get install emacs
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- name: make
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run: make -C src/
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@ -1,4 +1,7 @@
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# qmckl
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# qmckl
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![Build Status](https://github.com/TREX-CoE/qmckl/workflows/test-build/badge.svg?branch=main)
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Quantum Monte Carlo Kernel Library.
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Quantum Monte Carlo Kernel Library.
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See the [Wiki](https://github.com/TREX-CoE/qmckl/wiki) for more information.
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See the [Wiki](https://github.com/TREX-CoE/qmckl/wiki) for more information.
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@ -4,10 +4,13 @@ CFLAGS=
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FC=gfortran
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FC=gfortran
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FFLAGS=
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FFLAGS=
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SOURCE_FILES=$(wildcard *.org)
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ORG_SOURCE_FILES=qmckl_context.org
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OBJECT_FILES=$(patsubst %.org,%.o,$(ORG_SOURCE_FILES))
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.PHONY: clean
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.PHONY: clean
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all: $(OBJECT_FILES)
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%.c %.h: %.org
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%.c %.h: %.org
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emacs --quick --no-init-file --batch --eval "(require 'org)" --eval '(org-babel-tangle-file "$^")'
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emacs --quick --no-init-file --batch --eval "(require 'org)" --eval '(org-babel-tangle-file "$^")'
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@ -66,11 +66,11 @@ qmckl_context qmckl_context_create() {
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** =qmckl_context_copy=
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** =qmckl_context_copy=
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#+BEGIN_SRC C :tangle qmckl_context.h
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#+BEGIN_SRC C :tangle qmckl_context.h
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qmckl_context qmckl_context_copy(qmckl_context context);
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qmckl_context qmckl_context_copy(const qmckl_context context);
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#+END_SRC
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#+END_SRC
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#+BEGIN_SRC C :tangle qmckl_context.c
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#+BEGIN_SRC C :tangle qmckl_context.c
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qmckl_context qmckl_context_copy(qmckl_context context) {
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qmckl_context qmckl_context_copy(const qmckl_context context) {
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qmckl_context_struct* old_context;
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qmckl_context_struct* old_context;
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qmckl_context_struct* new_context;
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qmckl_context_struct* new_context;
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@ -123,11 +123,11 @@ qmckl_context qmckl_context_destroy(qmckl_context context) {
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** =qmckl_context_set_precision=
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** =qmckl_context_set_precision=
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#+BEGIN_SRC C :tangle qmckl_context.h
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#+BEGIN_SRC C :tangle qmckl_context.h
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qmckl_context qmckl_context_set_precision(qmckl_context context, int precision);
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qmckl_context qmckl_context_set_precision(const qmckl_context context, int precision);
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#+END_SRC
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#+END_SRC
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#+BEGIN_SRC C :tangle qmckl_context.c
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#+BEGIN_SRC C :tangle qmckl_context.c
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qmckl_context qmckl_context_set_precision(qmckl_context context, int precision) {
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qmckl_context qmckl_context_set_precision(const qmckl_context context, int precision) {
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qmckl_context_struct* ctx;
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qmckl_context_struct* ctx;
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if (precision < 2) return (qmckl_context) 0;
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if (precision < 2) return (qmckl_context) 0;
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@ -141,11 +141,11 @@ qmckl_context qmckl_context_set_precision(qmckl_context context, int precision)
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** =qmckl_context_set_range=
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** =qmckl_context_set_range=
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#+BEGIN_SRC C :tangle qmckl_context.h
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#+BEGIN_SRC C :tangle qmckl_context.h
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qmckl_context qmckl_context_set_range(qmckl_context context, int range);
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qmckl_context qmckl_context_set_range(const qmckl_context context, int range);
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#+END_SRC
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#+END_SRC
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#+BEGIN_SRC C :tangle qmckl_context.c
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#+BEGIN_SRC C :tangle qmckl_context.c
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qmckl_context qmckl_context_set_range(qmckl_context context, int range) {
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qmckl_context qmckl_context_set_range(const qmckl_context context, int range) {
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qmckl_context_struct* ctx;
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qmckl_context_struct* ctx;
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if (range < 2) return (qmckl_context) 0;
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if (range < 2) return (qmckl_context) 0;
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@ -162,11 +162,11 @@ qmckl_context qmckl_context_set_range(qmckl_context context, int range) {
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** =qmckl_context_get_precision=
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** =qmckl_context_get_precision=
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#+BEGIN_SRC C :tangle qmckl_context.h
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#+BEGIN_SRC C :tangle qmckl_context.h
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int qmckl_context_get_precision(qmckl_context context);
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int qmckl_context_get_precision(const qmckl_context context);
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#+END_SRC
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#+END_SRC
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#+BEGIN_SRC C :tangle qmckl_context.c
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#+BEGIN_SRC C :tangle qmckl_context.c
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int qmckl_context_get_precision(qmckl_context context) {
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int qmckl_context_get_precision(const qmckl_context context) {
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qmckl_context_struct* ctx;
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qmckl_context_struct* ctx;
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ctx = (qmckl_context_struct*) context;
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ctx = (qmckl_context_struct*) context;
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return ctx->precision;
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return ctx->precision;
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@ -176,11 +176,11 @@ int qmckl_context_get_precision(qmckl_context context) {
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** =qmckl_context_get_range=
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** =qmckl_context_get_range=
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#+BEGIN_SRC C :tangle qmckl_context.h
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#+BEGIN_SRC C :tangle qmckl_context.h
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int qmckl_context_get_range(qmckl_context context);
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int qmckl_context_get_range(const qmckl_context context);
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#+END_SRC
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#+END_SRC
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#+BEGIN_SRC C :tangle qmckl_context.c
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#+BEGIN_SRC C :tangle qmckl_context.c
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int qmckl_context_get_range(qmckl_context context) {
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int qmckl_context_get_range(const qmckl_context context) {
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qmckl_context_struct* ctx;
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qmckl_context_struct* ctx;
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ctx = (qmckl_context_struct*) context;
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ctx = (qmckl_context_struct*) context;
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return ctx->range;
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return ctx->range;
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