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README.html
13
README.html
@ -4,7 +4,7 @@
|
||||
<html xmlns="http://www.w3.org/1999/xhtml" lang="en" xml:lang="en">
|
||||
<head>
|
||||
<title>QMCkl source code documentation</title>
|
||||
<!-- 2020-10-31 Sat 18:09 -->
|
||||
<!-- 2020-11-04 Wed 23:47 -->
|
||||
<meta http-equiv="Content-Type" content="text/html;charset=utf-8" />
|
||||
<meta name="generator" content="Org-mode" />
|
||||
<style type="text/css">
|
||||
@ -308,6 +308,11 @@ those exposed in the API suffixed by <code>_f</code>.
|
||||
Fortran interface files should also be written in a file with a
|
||||
<code>.fh</code> extension.
|
||||
</p>
|
||||
|
||||
<p>
|
||||
For more guidelines on using Fortran to generate a C interface, see
|
||||
<a href="http://fortranwiki.org/fortran/show/Generating+C+Interfaces">this link</a>
|
||||
</p>
|
||||
</div>
|
||||
</div>
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||||
|
||||
@ -395,6 +400,10 @@ and terminated by a zero character (C convention).
|
||||
</li>
|
||||
</ul>
|
||||
|
||||
<p>
|
||||
Complex numbers can be represented by an array of 2 floats.
|
||||
</p>
|
||||
|
||||
<p>
|
||||
To facilitate the use in other languages than C, we provide some
|
||||
bindings in other languages in other repositories.
|
||||
@ -540,7 +549,7 @@ be implemented adapted to different problem sizes.
|
||||
</div>
|
||||
</div>
|
||||
<div id="postamble" class="status">
|
||||
<p class="date">Created: 2020-10-31 Sat 18:09</p>
|
||||
<p class="date">Created: 2020-11-04 Wed 23:47</p>
|
||||
<p class="creator"><a href="http://www.gnu.org/software/emacs/">Emacs</a> 25.2.2 (<a href="http://orgmode.org">Org</a> mode 8.2.10)</p>
|
||||
<p class="validation"><a href="http://validator.w3.org/check?uri=referer">Validate</a></p>
|
||||
</div>
|
||||
|
||||
@ -4,7 +4,7 @@
|
||||
<html xmlns="http://www.w3.org/1999/xhtml" lang="en" xml:lang="en">
|
||||
<head>
|
||||
<title>QMCkl C header</title>
|
||||
<!-- 2020-10-31 Sat 18:09 -->
|
||||
<!-- 2020-11-04 Wed 23:47 -->
|
||||
<meta http-equiv="Content-Type" content="text/html;charset=utf-8" />
|
||||
<meta name="generator" content="Org-mode" />
|
||||
<style type="text/css">
|
||||
@ -247,7 +247,7 @@ header files.
|
||||
</div>
|
||||
</div>
|
||||
<div id="postamble" class="status">
|
||||
<p class="date">Created: 2020-10-31 Sat 18:09</p>
|
||||
<p class="date">Created: 2020-11-04 Wed 23:47</p>
|
||||
<p class="creator"><a href="http://www.gnu.org/software/emacs/">Emacs</a> 25.2.2 (<a href="http://orgmode.org">Org</a> mode 8.2.10)</p>
|
||||
<p class="validation"><a href="http://validator.w3.org/check?uri=referer">Validate</a></p>
|
||||
</div>
|
||||
|
||||
260
qmckl_ao.html
260
qmckl_ao.html
@ -4,7 +4,7 @@
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<html xmlns="http://www.w3.org/1999/xhtml" lang="en" xml:lang="en">
|
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<head>
|
||||
<title>Atomic Orbitals</title>
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<!-- 2020-10-31 Sat 18:09 -->
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||||
<!-- 2020-11-04 Wed 23:47 -->
|
||||
<meta http-equiv="Content-Type" content="text/html;charset=utf-8" />
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||||
<meta name="generator" content="Org-mode" />
|
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<style type="text/css">
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@ -209,7 +209,18 @@ for the JavaScript code in this tag.
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</li>
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</ul>
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</li>
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<li><a href="#sec-2">2. <span class="todo TODO">TODO</span> Gaussian basis functions</a></li>
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<li><a href="#sec-2">2. Gaussian basis functions</a>
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<ul>
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<li><a href="#sec-2-1">2.1. <code>qmckl_ao_gaussians_vgl</code></a>
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<ul>
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<li><a href="#sec-2-1-1">2.1.1. Arguments</a></li>
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<li><a href="#sec-2-1-2">2.1.2. Requirements</a></li>
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<li><a href="#sec-2-1-3">2.1.3. Header</a></li>
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<li><a href="#sec-2-1-4">2.1.4. Source</a></li>
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</ul>
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||||
</li>
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</ul>
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</li>
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<li><a href="#sec-3">3. <span class="todo TODO">TODO</span> Slater basis functions</a></li>
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</ul>
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</div>
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@ -400,6 +411,7 @@ end function qmckl_ao_powers_f
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</div>
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</div>
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<div id="outline-container-sec-1-2" class="outline-3">
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<h3 id="sec-1-2"><span class="section-number-3">1.2</span> <code>qmckl_ao_polynomial_vgl</code></h3>
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<div class="outline-text-3" id="text-1-2">
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@ -466,7 +478,7 @@ all polynomials with an angular momentum up to <code>lmax</code>.
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</tr>
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<tr>
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<td class="left"><code>VGL(ldv,n)</code></td>
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<td class="left"><code>VGL(ldv,5)</code></td>
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<td class="left">output</td>
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<td class="left">Value, gradients and Laplacian of the polynomials</td>
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</tr>
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@ -489,21 +501,21 @@ all polynomials with an angular momentum up to <code>lmax</code>.
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</li>
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<li><code>n</code> > 0
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</li>
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<li><code>lmax</code> >= 0
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</li>
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<li><code>ldl</code> >= 3
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</li>
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<li><code>ldv</code> >= (=lmax=+1)(=lmax=+2)(=lmax=+3)/6
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</li>
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<li><code>X</code> is allocated with at least \(3 \times 8\) bytes
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</li>
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<li><code>R</code> is allocated with at least \(3 \times 8\) bytes
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</li>
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<li><code>lmax</code> >= 0
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</li>
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<li>On output, <code>n</code> should be equal to (=lmax=+1)(=lmax=+2)(=lmax=+3)/6
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</li>
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<li><code>L</code> is allocated with at least \(3 \times n \times 4\) bytes
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</li>
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<li><code>ldl</code> >= 3
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<li><code>VGL</code> is allocated with at least \(n \times 5 \times 8\) bytes
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</li>
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||||
<li><code>VGL</code> is allocated with at least \(5 \times n \times 8\) bytes
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</li>
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<li><code>ldv</code> >= 5
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<li>On output, <code>n</code> should be equal to (=lmax=+1)(=lmax=+2)(=lmax=+3)/6
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</li>
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</ul>
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</div>
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@ -518,7 +530,7 @@ all polynomials with an angular momentum up to <code>lmax</code>.
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const double *X, const double *R,
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const int32_t lmax, const int64_t *n,
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const int32_t *L, const int64_t ldl,
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const double *VGL, const int64_t ldv);
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const double *VGL, const int64_t ldv);
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</pre>
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||||
</div>
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</div>
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@ -537,7 +549,7 @@ all polynomials with an angular momentum up to <code>lmax</code>.
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integer*8 , intent(out) :: n
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integer , intent(out) :: L(ldl,(lmax+1)*(lmax+2)*(lmax+3)/6)
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integer*8 , intent(in) :: ldl
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real*8 , intent(out) :: VGL(ldv,(lmax+1)*(lmax+2)*(lmax+3)/6)
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real*8 , intent(out) :: VGL(ldv,5)
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integer*8 , intent(in) :: ldv
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integer*8 :: i,j
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@ -556,18 +568,21 @@ all polynomials with an angular momentum up to <code>lmax</code>.
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return
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endif
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n = (lmax+1)*(lmax+2)*(lmax+3)/6
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if (ldl < 3) then
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info = -2
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return
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endif
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if (ldv < 5) then
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if (ldv < (lmax+1)*(lmax+2)*(lmax+3)/6) then
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||||
info = -3
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||||
return
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||||
endif
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if (lmax <= 0) then
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info = -4
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return
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endif
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do i=1,3
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Y(i) = X(i) - R(i)
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@ -583,10 +598,10 @@ all polynomials with an angular momentum up to <code>lmax</code>.
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if (info /= 0) return
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vgl(1,1) = 1.d0
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vgl(1,2:5) = 0.d0
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l(1:3,1) = 0
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n=1
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vgl(1:5,1:n) = 0.d0
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l(1:3,n) = 0
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vgl(1,n) = 1.d0
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dd = 1.d0
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do d=1,lmax
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da = 0.d0
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@ -604,17 +619,17 @@ all polynomials with an angular momentum up to <code>lmax</code>.
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yz = pows(b,2) * pows(c,3)
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xz = pows(a,1) * pows(c,3)
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vgl(1,n) = xy * pows(c,3)
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vgl(n,1) = xy * pows(c,3)
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xy = dc * xy
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xz = db * xz
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yz = da * yz
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vgl(2,n) = pows(a-1,1) * yz
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vgl(3,n) = pows(b-1,2) * xz
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vgl(4,n) = pows(c-1,3) * xy
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vgl(n,2) = pows(a-1,1) * yz
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vgl(n,3) = pows(b-1,2) * xz
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vgl(n,4) = pows(c-1,3) * xy
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|
||||
vgl(5,n) = &
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vgl(n,5) = &
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(da-1.d0) * pows(a-2,1) * yz + &
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(db-1.d0) * pows(b-2,2) * xz + &
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(dc-1.d0) * pows(c-2,3) * xy
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@ -626,6 +641,13 @@ all polynomials with an angular momentum up to <code>lmax</code>.
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dd = dd + 1.d0
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end do
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if (n /= (lmax+1)*(lmax+2)*(lmax+3)/6) then
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info = -5
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||||
return
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||||
endif
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info = 0
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end function qmckl_ao_polynomial_vgl_f
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||||
</pre>
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||||
</div>
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||||
@ -636,15 +658,201 @@ end function qmckl_ao_polynomial_vgl_f
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||||
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||||
<div id="outline-container-sec-2" class="outline-2">
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||||
<h2 id="sec-2"><span class="section-number-2">2</span> <span class="todo TODO">TODO</span> Gaussian basis functions</h2>
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||||
<h2 id="sec-2"><span class="section-number-2">2</span> Gaussian basis functions</h2>
|
||||
<div class="outline-text-2" id="text-2">
|
||||
</div><div id="outline-container-sec-2-1" class="outline-3">
|
||||
<h3 id="sec-2-1"><span class="section-number-3">2.1</span> <code>qmckl_ao_gaussians_vgl</code></h3>
|
||||
<div class="outline-text-3" id="text-2-1">
|
||||
<p>
|
||||
Computes the values, gradients and Laplacians at a given point of
|
||||
<code>n</code> Gaussian functions centered at the same point:
|
||||
</p>
|
||||
|
||||
<p>
|
||||
\[ v_i = exp(-a_i |X-R|^2) \]
|
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\[ \nabla_x v_i = -2 a_i (X_x - R_x) v_i \]
|
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\[ \nabla_y v_i = -2 a_i (X_y - R_y) v_i \]
|
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\[ \nabla_z v_i = -2 a_i (X_z - R_z) v_i \]
|
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\[ \Delta v_i = a_i (4 |X-R|^2 a_i - 6) v_i \]
|
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</p>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-2-1-1" class="outline-4">
|
||||
<h4 id="sec-2-1-1"><span class="section-number-4">2.1.1</span> Arguments</h4>
|
||||
<div class="outline-text-4" id="text-2-1-1">
|
||||
<table border="2" cellspacing="0" cellpadding="6" rules="groups" frame="hsides">
|
||||
|
||||
|
||||
<colgroup>
|
||||
<col class="left" />
|
||||
|
||||
<col class="left" />
|
||||
|
||||
<col class="left" />
|
||||
</colgroup>
|
||||
<tbody>
|
||||
<tr>
|
||||
<td class="left"><code>context</code></td>
|
||||
<td class="left">input</td>
|
||||
<td class="left">Global state</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="left"><code>X(3)</code></td>
|
||||
<td class="left">input</td>
|
||||
<td class="left">Array containing the coordinates of the points</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="left"><code>R(3)</code></td>
|
||||
<td class="left">input</td>
|
||||
<td class="left">Array containing the x,y,z coordinates of the center</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="left"><code>n</code></td>
|
||||
<td class="left">input</td>
|
||||
<td class="left">Number of computed gaussians</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="left"><code>A(n)</code></td>
|
||||
<td class="left">input</td>
|
||||
<td class="left">Exponents of the Gaussians</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="left"><code>VGL(ldv,5)</code></td>
|
||||
<td class="left">output</td>
|
||||
<td class="left">Value, gradients and Laplacian of the Gaussians</td>
|
||||
</tr>
|
||||
|
||||
<tr>
|
||||
<td class="left"><code>ldv</code></td>
|
||||
<td class="left">input</td>
|
||||
<td class="left">Leading dimension of array <code>VGL</code></td>
|
||||
</tr>
|
||||
</tbody>
|
||||
</table>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-2-1-2" class="outline-4">
|
||||
<h4 id="sec-2-1-2"><span class="section-number-4">2.1.2</span> Requirements</h4>
|
||||
<div class="outline-text-4" id="text-2-1-2">
|
||||
<ul class="org-ul">
|
||||
<li><code>context</code> is not 0
|
||||
</li>
|
||||
<li><code>n</code> > 0
|
||||
</li>
|
||||
<li><code>ldv</code> >= 5
|
||||
</li>
|
||||
<li><code>A(i)</code> > 0 for all <code>i</code>
|
||||
</li>
|
||||
<li><code>X</code> is allocated with at least \(3 \times 8\) bytes
|
||||
</li>
|
||||
<li><code>R</code> is allocated with at least \(3 \times 8\) bytes
|
||||
</li>
|
||||
<li><code>A</code> is allocated with at least \(n \times 8\) bytes
|
||||
</li>
|
||||
<li><code>VGL</code> is allocated with at least \(n \times 5 \times 8\) bytes
|
||||
</li>
|
||||
</ul>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-2-1-3" class="outline-4">
|
||||
<h4 id="sec-2-1-3"><span class="section-number-4">2.1.3</span> Header</h4>
|
||||
<div class="outline-text-4" id="text-2-1-3">
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-C">qmckl_exit_code qmckl_ao_gaussians_vgl(const qmckl_context context,
|
||||
const double *X, const double *R,
|
||||
const int64_t *n, const int64_t *A,
|
||||
const double *VGL, const int64_t ldv);
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-2-1-4" class="outline-4">
|
||||
<h4 id="sec-2-1-4"><span class="section-number-4">2.1.4</span> Source</h4>
|
||||
<div class="outline-text-4" id="text-2-1-4">
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-f90">integer function qmckl_ao_gaussians_vgl_f(context, X, R, n, A, VGL, ldv) result(info)
|
||||
implicit none
|
||||
integer*8 , intent(in) :: context
|
||||
real*8 , intent(in) :: X(3), R(3)
|
||||
integer*8 , intent(in) :: n
|
||||
real*8 , intent(in) :: A(n)
|
||||
real*8 , intent(out) :: VGL(ldv,5)
|
||||
integer*8 , intent(in) :: ldv
|
||||
|
||||
integer*8 :: i,j
|
||||
real*8 :: Y(3), r2, t, u, v
|
||||
|
||||
info = 0
|
||||
|
||||
if (context == 0_8) then
|
||||
info = -1
|
||||
return
|
||||
endif
|
||||
|
||||
if (n <= 0) then
|
||||
info = -2
|
||||
return
|
||||
endif
|
||||
|
||||
if (ldv < n) then
|
||||
info = -3
|
||||
return
|
||||
endif
|
||||
|
||||
|
||||
do i=1,3
|
||||
Y(i) = X(i) - R(i)
|
||||
end do
|
||||
r2 = Y(1)*Y(1) + Y(2)*Y(2) + Y(3)*Y(3)
|
||||
|
||||
do i=1,n
|
||||
VGL(i,1) = dexp(-A(i) * r2)
|
||||
end do
|
||||
|
||||
do i=1,n
|
||||
VGL(i,5) = A(i) * VGL(i,1)
|
||||
end do
|
||||
|
||||
t = -2.d0 * ( X(1) - R(1) )
|
||||
u = -2.d0 * ( X(2) - R(2) )
|
||||
v = -2.d0 * ( X(3) - R(3) )
|
||||
|
||||
do i=1,n
|
||||
VGL(i,2) = t * VGL(i,5)
|
||||
VGL(i,3) = u * VGL(i,5)
|
||||
VGL(i,4) = v * VGL(i,5)
|
||||
end do
|
||||
|
||||
t = 4.d0 * r2
|
||||
do i=1,n
|
||||
VGL(i,5) = (t * A(i) - 6.d0) * VGL(i,5)
|
||||
end do
|
||||
|
||||
end function qmckl_ao_gaussians_vgl_f
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
|
||||
<div id="outline-container-sec-3" class="outline-2">
|
||||
<h2 id="sec-3"><span class="section-number-2">3</span> <span class="todo TODO">TODO</span> Slater basis functions</h2>
|
||||
</div>
|
||||
</div>
|
||||
<div id="postamble" class="status">
|
||||
<p class="date">Created: 2020-10-31 Sat 18:09</p>
|
||||
<p class="date">Created: 2020-11-04 Wed 23:47</p>
|
||||
<p class="creator"><a href="http://www.gnu.org/software/emacs/">Emacs</a> 25.2.2 (<a href="http://orgmode.org">Org</a> mode 8.2.10)</p>
|
||||
<p class="validation"><a href="http://validator.w3.org/check?uri=referer">Validate</a></p>
|
||||
</div>
|
||||
|
||||
@ -4,7 +4,7 @@
|
||||
<html xmlns="http://www.w3.org/1999/xhtml" lang="en" xml:lang="en">
|
||||
<head>
|
||||
<title>Context</title>
|
||||
<!-- 2020-10-31 Sat 18:09 -->
|
||||
<!-- 2020-11-04 Wed 23:47 -->
|
||||
<meta http-equiv="Content-Type" content="text/html;charset=utf-8" />
|
||||
<meta name="generator" content="Org-mode" />
|
||||
<style type="text/css">
|
||||
@ -139,6 +139,48 @@ for the JavaScript code in this tag.
|
||||
}
|
||||
/*]]>*///-->
|
||||
</script>
|
||||
<script type="text/javascript" src="http://orgmode.org/mathjax/MathJax.js"></script>
|
||||
<script type="text/javascript">
|
||||
<!--/*--><![CDATA[/*><!--*/
|
||||
MathJax.Hub.Config({
|
||||
// Only one of the two following lines, depending on user settings
|
||||
// First allows browser-native MathML display, second forces HTML/CSS
|
||||
// config: ["MMLorHTML.js"], jax: ["input/TeX"],
|
||||
jax: ["input/TeX", "output/HTML-CSS"],
|
||||
extensions: ["tex2jax.js","TeX/AMSmath.js","TeX/AMSsymbols.js",
|
||||
"TeX/noUndefined.js"],
|
||||
tex2jax: {
|
||||
inlineMath: [ ["\\(","\\)"] ],
|
||||
displayMath: [ ['$$','$$'], ["\\[","\\]"], ["\\begin{displaymath}","\\end{displaymath}"] ],
|
||||
skipTags: ["script","noscript","style","textarea","pre","code"],
|
||||
ignoreClass: "tex2jax_ignore",
|
||||
processEscapes: false,
|
||||
processEnvironments: true,
|
||||
preview: "TeX"
|
||||
},
|
||||
showProcessingMessages: true,
|
||||
displayAlign: "center",
|
||||
displayIndent: "2em",
|
||||
|
||||
"HTML-CSS": {
|
||||
scale: 100,
|
||||
availableFonts: ["STIX","TeX"],
|
||||
preferredFont: "TeX",
|
||||
webFont: "TeX",
|
||||
imageFont: "TeX",
|
||||
showMathMenu: true,
|
||||
},
|
||||
MMLorHTML: {
|
||||
prefer: {
|
||||
MSIE: "MML",
|
||||
Firefox: "MML",
|
||||
Opera: "HTML",
|
||||
other: "HTML"
|
||||
}
|
||||
}
|
||||
});
|
||||
/*]]>*///-->
|
||||
</script>
|
||||
</head>
|
||||
<body>
|
||||
<div id="content">
|
||||
@ -164,24 +206,28 @@ for the JavaScript code in this tag.
|
||||
<ul>
|
||||
<li><a href="#sec-1-2-1">1.2.1. Header</a></li>
|
||||
<li><a href="#sec-1-2-2">1.2.2. Source</a></li>
|
||||
<li><a href="#sec-1-2-3">1.2.3. Fortran interface</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
<li><a href="#sec-1-3">1.3. <code>qmckl_context_copy</code></a>
|
||||
<ul>
|
||||
<li><a href="#sec-1-3-1">1.3.1. Header</a></li>
|
||||
<li><a href="#sec-1-3-2">1.3.2. Source</a></li>
|
||||
<li><a href="#sec-1-3-3">1.3.3. Fortran interface</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
<li><a href="#sec-1-4">1.4. <code>qmckl_context_previous</code></a>
|
||||
<ul>
|
||||
<li><a href="#sec-1-4-1">1.4.1. Header</a></li>
|
||||
<li><a href="#sec-1-4-2">1.4.2. Source</a></li>
|
||||
<li><a href="#sec-1-4-3">1.4.3. Fortran interface</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
<li><a href="#sec-1-5">1.5. <code>qmckl_context_destroy</code></a>
|
||||
<ul>
|
||||
<li><a href="#sec-1-5-1">1.5.1. Header</a></li>
|
||||
<li><a href="#sec-1-5-2">1.5.2. Source</a></li>
|
||||
<li><a href="#sec-1-5-3">1.5.3. Fortran interface</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
</ul>
|
||||
@ -192,36 +238,49 @@ for the JavaScript code in this tag.
|
||||
<ul>
|
||||
<li><a href="#sec-2-1-1">2.1.1. Header</a></li>
|
||||
<li><a href="#sec-2-1-2">2.1.2. Source</a></li>
|
||||
<li><a href="#sec-2-1-3">2.1.3. Fortran interface</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
<li><a href="#sec-2-2">2.2. <code>qmckl_context_update_range</code></a>
|
||||
<ul>
|
||||
<li><a href="#sec-2-2-1">2.2.1. Header</a></li>
|
||||
<li><a href="#sec-2-2-2">2.2.2. Source</a></li>
|
||||
<li><a href="#sec-2-2-3">2.2.3. Fortran interface</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
<li><a href="#sec-2-3">2.3. <code>qmckl_context_set_precision</code></a>
|
||||
<ul>
|
||||
<li><a href="#sec-2-3-1">2.3.1. Header</a></li>
|
||||
<li><a href="#sec-2-3-2">2.3.2. Source</a></li>
|
||||
<li><a href="#sec-2-3-3">2.3.3. Fortran interface</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
<li><a href="#sec-2-4">2.4. <code>qmckl_context_set_range</code></a>
|
||||
<ul>
|
||||
<li><a href="#sec-2-4-1">2.4.1. Header</a></li>
|
||||
<li><a href="#sec-2-4-2">2.4.2. Source</a></li>
|
||||
<li><a href="#sec-2-4-3">2.4.3. Fortran interface</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
<li><a href="#sec-2-5">2.5. <code>qmckl_context_get_precision</code></a>
|
||||
<ul>
|
||||
<li><a href="#sec-2-5-1">2.5.1. Header</a></li>
|
||||
<li><a href="#sec-2-5-2">2.5.2. Source</a></li>
|
||||
<li><a href="#sec-2-5-3">2.5.3. Fortran interface</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
<li><a href="#sec-2-6">2.6. <code>qmckl_context_get_range</code></a>
|
||||
<ul>
|
||||
<li><a href="#sec-2-6-1">2.6.1. Header</a></li>
|
||||
<li><a href="#sec-2-6-2">2.6.2. Source</a></li>
|
||||
<li><a href="#sec-2-6-3">2.6.3. Fortran interface</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
<li><a href="#sec-2-7">2.7. <code>qmckl_context_get_epsilon</code></a>
|
||||
<ul>
|
||||
<li><a href="#sec-2-7-1">2.7.1. Header</a></li>
|
||||
<li><a href="#sec-2-7-2">2.7.2. Source</a></li>
|
||||
<li><a href="#sec-2-7-3">2.7.3. Fortran interface</a></li>
|
||||
</ul>
|
||||
</li>
|
||||
</ul>
|
||||
@ -316,11 +375,11 @@ Returns the input <code>qmckl_context</code> if the context is valid, 0 otherwis
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-C">qmckl_context qmckl_context_check(const qmckl_context context) {
|
||||
qmckl_context_struct * ctx;
|
||||
|
||||
if (context == (qmckl_context) 0) return (qmckl_context) 0;
|
||||
|
||||
ctx = (qmckl_context_struct*) context;
|
||||
const qmckl_context_struct * ctx = (qmckl_context_struct*) context;
|
||||
|
||||
if (ctx->tag != VALID_TAG) return (qmckl_context) 0;
|
||||
|
||||
return context;
|
||||
@ -363,9 +422,8 @@ To create a new context, use <code>qmckl_context_create()</code>.
|
||||
|
||||
<pre class="src src-C">qmckl_context qmckl_context_create() {
|
||||
|
||||
qmckl_context_struct* context;
|
||||
|
||||
context = (qmckl_context_struct*) qmckl_malloc ((qmckl_context) 0, sizeof(qmckl_context_struct));
|
||||
qmckl_context_struct* context =
|
||||
(qmckl_context_struct*) qmckl_malloc ((qmckl_context) 0, sizeof(qmckl_context_struct));
|
||||
if (context == NULL) {
|
||||
return (qmckl_context) 0;
|
||||
}
|
||||
@ -381,6 +439,21 @@ To create a new context, use <code>qmckl_context_create()</code>.
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-1-2-3" class="outline-4">
|
||||
<h4 id="sec-1-2-3"><span class="section-number-4">1.2.3</span> Fortran interface</h4>
|
||||
<div class="outline-text-4" id="text-1-2-3">
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-f90">interface
|
||||
integer (c_int64_t) function qmckl_context_create() bind(C)
|
||||
use, intrinsic :: iso_c_binding
|
||||
end function qmckl_context_create
|
||||
end interface
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-1-3" class="outline-3">
|
||||
@ -418,23 +491,20 @@ for the new context
|
||||
|
||||
<pre class="src src-C">qmckl_context qmckl_context_copy(const qmckl_context context) {
|
||||
|
||||
qmckl_context_struct* old_context;
|
||||
qmckl_context_struct* new_context;
|
||||
qmckl_context checked_context;
|
||||
|
||||
checked_context = qmckl_context_check(context);
|
||||
const qmckl_context checked_context = qmckl_context_check(context);
|
||||
|
||||
if (checked_context == (qmckl_context) 0) {
|
||||
return (qmckl_context) 0;
|
||||
}
|
||||
|
||||
new_context = (qmckl_context_struct*) qmckl_malloc (context, sizeof(qmckl_context_struct));
|
||||
qmckl_context_struct* old_context = (qmckl_context_struct*) checked_context;
|
||||
|
||||
qmckl_context_struct* new_context =
|
||||
(qmckl_context_struct*) qmckl_malloc (context, sizeof(qmckl_context_struct));
|
||||
if (new_context == NULL) {
|
||||
return (qmckl_context) 0;
|
||||
}
|
||||
|
||||
old_context = (qmckl_context_struct*) checked_context;
|
||||
|
||||
new_context->prev = old_context;
|
||||
new_context->precision = old_context->precision;
|
||||
new_context->range = old_context->range;
|
||||
@ -446,6 +516,22 @@ for the new context
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-1-3-3" class="outline-4">
|
||||
<h4 id="sec-1-3-3"><span class="section-number-4">1.3.3</span> Fortran interface</h4>
|
||||
<div class="outline-text-4" id="text-1-3-3">
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-f90">interface
|
||||
integer (c_int64_t) function qmckl_context_copy(context) bind(C)
|
||||
use, intrinsic :: iso_c_binding
|
||||
integer (c_int64_t), intent(in), value :: context
|
||||
end function qmckl_context_copy
|
||||
end interface
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-1-4" class="outline-3">
|
||||
@ -482,21 +568,34 @@ Returns the previous context
|
||||
|
||||
<pre class="src src-C">qmckl_context qmckl_context_previous(const qmckl_context context) {
|
||||
|
||||
qmckl_context checked_context;
|
||||
qmckl_context_struct* ctx;
|
||||
|
||||
checked_context = qmckl_context_check(context);
|
||||
const qmckl_context checked_context = qmckl_context_check(context);
|
||||
if (checked_context == (qmckl_context) 0) {
|
||||
return (qmckl_context) 0;
|
||||
}
|
||||
|
||||
ctx = (qmckl_context_struct*) checked_context;
|
||||
const qmckl_context_struct* ctx = (qmckl_context_struct*) checked_context;
|
||||
return qmckl_context_check((qmckl_context) ctx->prev);
|
||||
}
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-1-4-3" class="outline-4">
|
||||
<h4 id="sec-1-4-3"><span class="section-number-4">1.4.3</span> Fortran interface</h4>
|
||||
<div class="outline-text-4" id="text-1-4-3">
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-f90">interface
|
||||
integer (c_int64_t) function qmckl_context_previous(context) bind(C)
|
||||
use, intrinsic :: iso_c_binding
|
||||
integer (c_int64_t), intent(in), value :: context
|
||||
end function qmckl_context_previous
|
||||
end interface
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-1-5" class="outline-3">
|
||||
@ -533,15 +632,12 @@ Destroys the current context, leaving the ancestors untouched.
|
||||
<div class="outline-text-4" id="text-1-5-2">
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-C">qmckl_exit_code qmckl_context_destroy(qmckl_context context) {
|
||||
<pre class="src src-C">qmckl_exit_code qmckl_context_destroy(const qmckl_context context) {
|
||||
|
||||
qmckl_context_struct* ctx;
|
||||
qmckl_context checked_context;
|
||||
|
||||
checked_context = qmckl_context_check(context);
|
||||
const qmckl_context checked_context = qmckl_context_check(context);
|
||||
if (checked_context == (qmckl_context) 0) return QMCKL_FAILURE;
|
||||
|
||||
ctx = (qmckl_context_struct*) context;
|
||||
qmckl_context_struct* ctx = (qmckl_context_struct*) context;
|
||||
if (ctx == NULL) return QMCKL_FAILURE;
|
||||
|
||||
ctx->tag = INVALID_TAG;
|
||||
@ -552,6 +648,22 @@ Destroys the current context, leaving the ancestors untouched.
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-1-5-3" class="outline-4">
|
||||
<h4 id="sec-1-5-3"><span class="section-number-4">1.5.3</span> Fortran interface</h4>
|
||||
<div class="outline-text-4" id="text-1-5-3">
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-f90">interface
|
||||
integer (c_int32_t) function qmckl_context_destroy(context) bind(C)
|
||||
use, intrinsic :: iso_c_binding
|
||||
integer (c_int64_t), intent(in), value :: context
|
||||
end function qmckl_context_destroy
|
||||
end interface
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
@ -592,12 +704,11 @@ The update functions return <code>QMCKL_SUCCESS</code> or <code>QMCKL_FAILURE</c
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-C">qmckl_exit_code qmckl_context_update_precision(const qmckl_context context, const int precision) {
|
||||
qmckl_context_struct* ctx;
|
||||
|
||||
if (precision < 2) return QMCKL_FAILURE;
|
||||
if (precision > 53) return QMCKL_FAILURE;
|
||||
|
||||
ctx = (qmckl_context_struct*) context;
|
||||
qmckl_context_struct* ctx = (qmckl_context_struct*) context;
|
||||
if (ctx == NULL) return QMCKL_FAILURE;
|
||||
|
||||
ctx->precision = precision;
|
||||
@ -607,6 +718,23 @@ The update functions return <code>QMCKL_SUCCESS</code> or <code>QMCKL_FAILURE</c
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-2-1-3" class="outline-4">
|
||||
<h4 id="sec-2-1-3"><span class="section-number-4">2.1.3</span> Fortran interface</h4>
|
||||
<div class="outline-text-4" id="text-2-1-3">
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-f90">interface
|
||||
integer (c_int32_t) function qmckl_context_update_precision(context, precision) bind(C)
|
||||
use, intrinsic :: iso_c_binding
|
||||
integer (c_int64_t), intent(in), value :: context
|
||||
integer (c_int32_t), intent(in), value :: precision
|
||||
end function qmckl_context_update_precision
|
||||
end interface
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
<div id="outline-container-sec-2-2" class="outline-3">
|
||||
<h3 id="sec-2-2"><span class="section-number-3">2.2</span> <code>qmckl_context_update_range</code></h3>
|
||||
@ -628,12 +756,11 @@ The update functions return <code>QMCKL_SUCCESS</code> or <code>QMCKL_FAILURE</c
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-C">qmckl_exit_code qmckl_context_update_range(const qmckl_context context, const int range) {
|
||||
qmckl_context_struct* ctx;
|
||||
|
||||
if (range < 2) return QMCKL_FAILURE;
|
||||
if (range > 11) return QMCKL_FAILURE;
|
||||
|
||||
ctx = (qmckl_context_struct*) context;
|
||||
qmckl_context_struct* ctx = (qmckl_context_struct*) context;
|
||||
if (ctx == NULL) return QMCKL_FAILURE;
|
||||
|
||||
ctx->range = range;
|
||||
@ -643,6 +770,23 @@ The update functions return <code>QMCKL_SUCCESS</code> or <code>QMCKL_FAILURE</c
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-2-2-3" class="outline-4">
|
||||
<h4 id="sec-2-2-3"><span class="section-number-4">2.2.3</span> Fortran interface</h4>
|
||||
<div class="outline-text-4" id="text-2-2-3">
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-f90">interface
|
||||
integer (c_int32_t) function qmckl_context_update_range(context, range) bind(C)
|
||||
use, intrinsic :: iso_c_binding
|
||||
integer (c_int64_t), intent(in), value :: context
|
||||
integer (c_int32_t), intent(in), value :: range
|
||||
end function qmckl_context_update_range
|
||||
end interface
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
<div id="outline-container-sec-2-3" class="outline-3">
|
||||
<h3 id="sec-2-3"><span class="section-number-3">2.3</span> <code>qmckl_context_set_precision</code></h3>
|
||||
@ -664,9 +808,7 @@ The update functions return <code>QMCKL_SUCCESS</code> or <code>QMCKL_FAILURE</c
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-C">qmckl_context qmckl_context_set_precision(const qmckl_context context, const int precision) {
|
||||
qmckl_context new_context;
|
||||
|
||||
new_context = qmckl_context_copy(context);
|
||||
qmckl_context new_context = qmckl_context_copy(context);
|
||||
if (new_context == 0) return 0;
|
||||
|
||||
if (qmckl_context_update_precision(context, precision) == QMCKL_FAILURE) return 0;
|
||||
@ -677,6 +819,23 @@ The update functions return <code>QMCKL_SUCCESS</code> or <code>QMCKL_FAILURE</c
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-2-3-3" class="outline-4">
|
||||
<h4 id="sec-2-3-3"><span class="section-number-4">2.3.3</span> Fortran interface</h4>
|
||||
<div class="outline-text-4" id="text-2-3-3">
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-f90">interface
|
||||
integer (c_int32_t) function qmckl_context_set_precision(context, precision) bind(C)
|
||||
use, intrinsic :: iso_c_binding
|
||||
integer (c_int64_t), intent(in), value :: context
|
||||
integer (c_int32_t), intent(in), value :: precision
|
||||
end function qmckl_context_set_precision
|
||||
end interface
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
<div id="outline-container-sec-2-4" class="outline-3">
|
||||
<h3 id="sec-2-4"><span class="section-number-3">2.4</span> <code>qmckl_context_set_range</code></h3>
|
||||
@ -698,9 +857,7 @@ The update functions return <code>QMCKL_SUCCESS</code> or <code>QMCKL_FAILURE</c
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-C">qmckl_context qmckl_context_set_range(const qmckl_context context, const int range) {
|
||||
qmckl_context new_context;
|
||||
|
||||
new_context = qmckl_context_copy(context);
|
||||
qmckl_context new_context = qmckl_context_copy(context);
|
||||
if (new_context == 0) return 0;
|
||||
|
||||
if (qmckl_context_update_range(context, range) == QMCKL_FAILURE) return 0;
|
||||
@ -711,6 +868,23 @@ The update functions return <code>QMCKL_SUCCESS</code> or <code>QMCKL_FAILURE</c
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-2-4-3" class="outline-4">
|
||||
<h4 id="sec-2-4-3"><span class="section-number-4">2.4.3</span> Fortran interface</h4>
|
||||
<div class="outline-text-4" id="text-2-4-3">
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-f90">interface
|
||||
integer (c_int32_t) function qmckl_context_set_range(context, range) bind(C)
|
||||
use, intrinsic :: iso_c_binding
|
||||
integer (c_int64_t), intent(in), value :: context
|
||||
integer (c_int32_t), intent(in), value :: range
|
||||
end function qmckl_context_set_range
|
||||
end interface
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-2-5" class="outline-3">
|
||||
@ -721,7 +895,7 @@ The update functions return <code>QMCKL_SUCCESS</code> or <code>QMCKL_FAILURE</c
|
||||
<div class="outline-text-4" id="text-2-5-1">
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-C">int qmckl_context_get_precision(const qmckl_context context);
|
||||
<pre class="src src-C">int32_t qmckl_context_get_precision(const qmckl_context context);
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
@ -733,14 +907,29 @@ The update functions return <code>QMCKL_SUCCESS</code> or <code>QMCKL_FAILURE</c
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-C">int qmckl_context_get_precision(const qmckl_context context) {
|
||||
qmckl_context_struct* ctx;
|
||||
ctx = (qmckl_context_struct*) context;
|
||||
const qmckl_context_struct* ctx = (qmckl_context_struct*) context;
|
||||
return ctx->precision;
|
||||
}
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-2-5-3" class="outline-4">
|
||||
<h4 id="sec-2-5-3"><span class="section-number-4">2.5.3</span> Fortran interface</h4>
|
||||
<div class="outline-text-4" id="text-2-5-3">
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-f90">interface
|
||||
integer (c_int32_t) function qmckl_context_get_precision(context) bind(C)
|
||||
use, intrinsic :: iso_c_binding
|
||||
integer (c_int64_t), intent(in), value :: context
|
||||
end function qmckl_context_get_precision
|
||||
end interface
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
<div id="outline-container-sec-2-6" class="outline-3">
|
||||
<h3 id="sec-2-6"><span class="section-number-3">2.6</span> <code>qmckl_context_get_range</code></h3>
|
||||
@ -750,7 +939,7 @@ The update functions return <code>QMCKL_SUCCESS</code> or <code>QMCKL_FAILURE</c
|
||||
<div class="outline-text-4" id="text-2-6-1">
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-C">int qmckl_context_get_range(const qmckl_context context);
|
||||
<pre class="src src-C">int32_t qmckl_context_get_range(const qmckl_context context);
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
@ -762,17 +951,80 @@ The update functions return <code>QMCKL_SUCCESS</code> or <code>QMCKL_FAILURE</c
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-C">int qmckl_context_get_range(const qmckl_context context) {
|
||||
qmckl_context_struct* ctx;
|
||||
ctx = (qmckl_context_struct*) context;
|
||||
const qmckl_context_struct* ctx = (qmckl_context_struct*) context;
|
||||
return ctx->range;
|
||||
}
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-2-6-3" class="outline-4">
|
||||
<h4 id="sec-2-6-3"><span class="section-number-4">2.6.3</span> Fortran interface</h4>
|
||||
<div class="outline-text-4" id="text-2-6-3">
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-f90">interface
|
||||
integer (c_int32_t) function qmckl_context_get_range(context) bind(C)
|
||||
use, intrinsic :: iso_c_binding
|
||||
integer (c_int64_t), intent(in), value :: context
|
||||
end function qmckl_context_get_range
|
||||
end interface
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-2-7" class="outline-3">
|
||||
<h3 id="sec-2-7"><span class="section-number-3">2.7</span> <code>qmckl_context_get_epsilon</code></h3>
|
||||
<div class="outline-text-3" id="text-2-7">
|
||||
<p>
|
||||
Returns \(\epsilon = 2 / \log_{10} 2^{n-1}\) where <code>n</code> is the precision
|
||||
</p>
|
||||
</div>
|
||||
<div id="outline-container-sec-2-7-1" class="outline-4">
|
||||
<h4 id="sec-2-7-1"><span class="section-number-4">2.7.1</span> Header</h4>
|
||||
<div class="outline-text-4" id="text-2-7-1">
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-C">double qmckl_context_get_epsilon(const qmckl_context context);
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-2-7-2" class="outline-4">
|
||||
<h4 id="sec-2-7-2"><span class="section-number-4">2.7.2</span> Source</h4>
|
||||
<div class="outline-text-4" id="text-2-7-2">
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-C">double qmckl_context_get_epsilon(const qmckl_context context) {
|
||||
const qmckl_context_struct* ctx = (qmckl_context_struct*) context;
|
||||
return 1.0 / ((double) ((int64_t) 1 << (ctx->precision-1)));
|
||||
}
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-2-7-3" class="outline-4">
|
||||
<h4 id="sec-2-7-3"><span class="section-number-4">2.7.3</span> Fortran interface</h4>
|
||||
<div class="outline-text-4" id="text-2-7-3">
|
||||
<div class="org-src-container">
|
||||
|
||||
<pre class="src src-f90">interface
|
||||
real (c_double) function qmckl_context_get_epsilon(context) bind(C)
|
||||
use, intrinsic :: iso_c_binding
|
||||
integer (c_int64_t), intent(in), value :: context
|
||||
end function qmckl_context_get_epsilon
|
||||
end interface
|
||||
</pre>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
</div>
|
||||
|
||||
<div id="outline-container-sec-3" class="outline-2">
|
||||
<h2 id="sec-3"><span class="section-number-2">3</span> Info about the molecular system</h2>
|
||||
@ -789,7 +1041,7 @@ The update functions return <code>QMCKL_SUCCESS</code> or <code>QMCKL_FAILURE</c
|
||||
</div>
|
||||
</div>
|
||||
<div id="postamble" class="status">
|
||||
<p class="date">Created: 2020-10-31 Sat 18:09</p>
|
||||
<p class="date">Created: 2020-11-04 Wed 23:47</p>
|
||||
<p class="creator"><a href="http://www.gnu.org/software/emacs/">Emacs</a> 25.2.2 (<a href="http://orgmode.org">Org</a> mode 8.2.10)</p>
|
||||
<p class="validation"><a href="http://validator.w3.org/check?uri=referer">Validate</a></p>
|
||||
</div>
|
||||
|
||||
@ -4,7 +4,7 @@
|
||||
<html xmlns="http://www.w3.org/1999/xhtml" lang="en" xml:lang="en">
|
||||
<head>
|
||||
<title>Computation of distances</title>
|
||||
<!-- 2020-10-31 Sat 18:09 -->
|
||||
<!-- 2020-11-04 Wed 23:47 -->
|
||||
<meta http-equiv="Content-Type" content="text/html;charset=utf-8" />
|
||||
<meta name="generator" content="Org-mode" />
|
||||
<style type="text/css">
|
||||
@ -515,7 +515,7 @@ end function qmckl_distance_sq_f
|
||||
</div>
|
||||
</div>
|
||||
<div id="postamble" class="status">
|
||||
<p class="date">Created: 2020-10-31 Sat 18:09</p>
|
||||
<p class="date">Created: 2020-11-04 Wed 23:47</p>
|
||||
<p class="creator"><a href="http://www.gnu.org/software/emacs/">Emacs</a> 25.2.2 (<a href="http://orgmode.org">Org</a> mode 8.2.10)</p>
|
||||
<p class="validation"><a href="http://validator.w3.org/check?uri=referer">Validate</a></p>
|
||||
</div>
|
||||
|
||||
@ -4,7 +4,7 @@
|
||||
<html xmlns="http://www.w3.org/1999/xhtml" lang="en" xml:lang="en">
|
||||
<head>
|
||||
<title>Memory management</title>
|
||||
<!-- 2020-10-31 Sat 18:09 -->
|
||||
<!-- 2020-11-04 Wed 23:47 -->
|
||||
<meta http-equiv="Content-Type" content="text/html;charset=utf-8" />
|
||||
<meta name="generator" content="Org-mode" />
|
||||
<style type="text/css">
|
||||
@ -244,7 +244,7 @@ Analogous of <code>malloc, but passing a context and a signed 64-bit integers as
|
||||
</div>
|
||||
</div>
|
||||
<div id="postamble" class="status">
|
||||
<p class="date">Created: 2020-10-31 Sat 18:09</p>
|
||||
<p class="date">Created: 2020-11-04 Wed 23:47</p>
|
||||
<p class="creator"><a href="http://www.gnu.org/software/emacs/">Emacs</a> 25.2.2 (<a href="http://orgmode.org">Org</a> mode 8.2.10)</p>
|
||||
<p class="validation"><a href="http://validator.w3.org/check?uri=referer">Validate</a></p>
|
||||
</div>
|
||||
|
||||
@ -4,7 +4,7 @@
|
||||
<html xmlns="http://www.w3.org/1999/xhtml" lang="en" xml:lang="en">
|
||||
<head>
|
||||
<title>QMCkl test</title>
|
||||
<!-- 2020-10-31 Sat 18:09 -->
|
||||
<!-- 2020-11-04 Wed 23:47 -->
|
||||
<meta http-equiv="Content-Type" content="text/html;charset=utf-8" />
|
||||
<meta name="generator" content="Org-mode" />
|
||||
<style type="text/css">
|
||||
@ -229,7 +229,7 @@ int main(int argc, char* argv[MUNIT_ARRAY_PARAM(argc + 1)]) {
|
||||
</div>
|
||||
</div>
|
||||
<div id="postamble" class="status">
|
||||
<p class="date">Created: 2020-10-31 Sat 18:09</p>
|
||||
<p class="date">Created: 2020-11-04 Wed 23:47</p>
|
||||
<p class="creator"><a href="http://www.gnu.org/software/emacs/">Emacs</a> 25.2.2 (<a href="http://orgmode.org">Org</a> mode 8.2.10)</p>
|
||||
<p class="validation"><a href="http://validator.w3.org/check?uri=referer">Validate</a></p>
|
||||
</div>
|
||||
|
||||
Loading…
Reference in New Issue
Block a user