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Changed tabs into spaces

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This commit is contained in:
Anthony Scemama 2020-10-30 16:22:29 +01:00
parent 2b6a96518d
commit 7a5b5b096c
4 changed files with 41 additions and 34 deletions
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8
src/create_doc.sh
View File

@ -9,10 +9,10 @@ emacsclient -a "" \
for INPUT in $@ ; do
echo $INPUT
emacsclient \
--no-wait \
--socket-name=org_to_code \
--eval "(find-file \"$INPUT\")" \
--eval "(org-html-export-to-html)"
--no-wait \
--socket-name=org_to_code \
--eval "(find-file \"$INPUT\")" \
--eval "(org-html-export-to-html)"
done
mv *.html ../docs

6
src/create_makefile.sh
View File

@ -10,9 +10,9 @@ emacsclient -a "" \
for INPUT in $@ ; do
emacsclient \
--no-wait \
--socket-name=org_to_code \
--eval "(org-babel-tangle-file \"$INPUT\")"
--no-wait \
--socket-name=org_to_code \
--eval "(org-babel-tangle-file \"$INPUT\")"
done
emacsclient \

7
src/qmckl_context.org
View File

@ -391,6 +391,13 @@ int qmckl_context_get_range(const qmckl_context context) {
*** TODO Tests :noexport:
* Info about the molecular system
** TODO =qmckl_context_set_nucl_coord=
** TODO =qmckl_context_set_nucl_charge=
** TODO =qmckl_context_set_elec_num=
* End of files :noexport:
*** Header

54
src/qmckl_distance.org
View File

@ -11,7 +11,7 @@
Function for the computation of distances between particles.
3 files are produced:
4 files are produced:
- a header file : =qmckl_distance.h=
- a source file : =qmckl_distance.f90=
- a C test file : =test_qmckl_distance.c=
@ -82,11 +82,11 @@ MunitResult test_qmckl_distance() {
*** Header
#+BEGIN_SRC C :comments link :tangle qmckl_distance.h
qmckl_exit_code qmckl_distance_sq(qmckl_context context,
char transa, char transb,
int64_t m, int64_t n,
double *A, int64_t lda,
double *B, int64_t ldb,
double *C, int64_t ldc);
char transa, char transb,
int64_t m, int64_t n,
double *A, int64_t lda,
double *B, int64_t ldb,
double *C, int64_t ldc);
#+END_SRC
*** Source
@ -280,12 +280,12 @@ integer(c_int32_t) function test_qmckl_distance_sq(context) bind(C)
do j=1,m
do i=1,m
A(i,j) = -10.d0 + dble(i+j)
A(i,j) = -10.d0 + dble(i+j)
end do
end do
do j=1,n
do i=1,n
B(i,j) = -1.d0 + dble(i*j)
B(i,j) = -1.d0 + dble(i*j)
end do
end do
@ -302,10 +302,10 @@ integer(c_int32_t) function test_qmckl_distance_sq(context) bind(C)
do j=1,n
do i=1,m
x = (A(i,1)-B(j,1))**2 + &
(A(i,2)-B(j,2))**2 + &
(A(i,3)-B(j,3))**2
if ( dabs(1.d0 - C(i,j)/x) > 1.d-14 ) return
x = (A(i,1)-B(j,1))**2 + &
(A(i,2)-B(j,2))**2 + &
(A(i,3)-B(j,3))**2
if ( dabs(1.d0 - C(i,j)/x) > 1.d-14 ) return
end do
end do
@ -316,10 +316,10 @@ integer(c_int32_t) function test_qmckl_distance_sq(context) bind(C)
do j=1,n
do i=1,m
x = (A(1,i)-B(j,1))**2 + &
(A(2,i)-B(j,2))**2 + &
(A(3,i)-B(j,3))**2
if ( dabs(1.d0 - C(i,j)/x) > 1.d-14 ) return
x = (A(1,i)-B(j,1))**2 + &
(A(2,i)-B(j,2))**2 + &
(A(3,i)-B(j,3))**2
if ( dabs(1.d0 - C(i,j)/x) > 1.d-14 ) return
end do
end do
@ -330,10 +330,10 @@ integer(c_int32_t) function test_qmckl_distance_sq(context) bind(C)
do j=1,n
do i=1,m
x = (A(i,1)-B(1,j))**2 + &
(A(i,2)-B(2,j))**2 + &
(A(i,3)-B(3,j))**2
if ( dabs(1.d0 - C(i,j)/x) > 1.d-14 ) return
x = (A(i,1)-B(1,j))**2 + &
(A(i,2)-B(2,j))**2 + &
(A(i,3)-B(3,j))**2
if ( dabs(1.d0 - C(i,j)/x) > 1.d-14 ) return
end do
end do
@ -344,19 +344,19 @@ integer(c_int32_t) function test_qmckl_distance_sq(context) bind(C)
do j=1,n
do i=1,m
x = (A(1,i)-B(1,j))**2 + &
(A(2,i)-B(2,j))**2 + &
(A(3,i)-B(3,j))**2
if ( dabs(1.d0 - C(i,j)/x) > 1.d-14 ) return
x = (A(1,i)-B(1,j))**2 + &
(A(2,i)-B(2,j))**2 + &
(A(3,i)-B(3,j))**2
if ( dabs(1.d0 - C(i,j)/x) > 1.d-14 ) return
end do
end do
test_qmckl_distance_sq = 0
deallocate(A,B,C)
end function test_qmckl_distance_sq
#+END_SRC
#+BEGIN_SRC C :comments link :tangle test_qmckl_distance.c
int test_qmckl_distance_sq(qmckl_context context);
munit_assert_int(0, ==, test_qmckl_distance_sq(context));