Weighted poisson integration #872

jhenin · 2025-10-23T15:09:46Z

Implements weighted Poisson integration of free energy gradients.
Also fixes a small error in Neumann boundary conditions for the existing unweighted case.

TODO:

revert formatting changes (braces and indents)
user flag to enable/disable
Documentation
Fix failing tests due to boundary condition fixes in unweighted Poisson
Add test for new feature, weighted Poisson

HanatoK · 2025-12-17T16:18:43Z

namd/tests/library/018_pathCV/AutoDiff/test.pmf

- -2.00000000000000e-01  1.40000000000000e+00   7.70437678236428e-02
- -2.00000000000000e-01  1.45000000000000e+00   7.69776442679124e-02
- -2.00000000000000e-01  1.50000000000000e+00   7.69557395004421e-02
+ -2.00000000000000e-01 -5.00000000000000e-01   5.66747557569237e-02


Why are the test data changed here? I know this PR fixes the boundary condition in the integrator but 018_pathCV does not use any periodic CVs.

The fix applies to Neumann (non-periodic) boundary conditions.

HanatoK · 2025-12-17T16:20:52Z

namd/tests/library/000_distance-grid_abf-customgrid/test.in

        width 0.2
        lowerBoundary 1.0
-        upperBoundary 5.0
+        upperBoundary 6.0


Why is the upper boundary changed in the test here?

This ensures that the custom grid has a different number of points than the default one based on the colvar's parameters. Because there was an accidental match in the previous test, some errors went unnoticed.

HanatoK · 2025-12-17T16:24:56Z

misc_interfaces/stubs/colvarproxy_stub.cpp

 bool colvarproxy_stub::total_forces_same_step() const
 {
-  return total_force_requested;
+  return true;


Why is this changed? Should it be also applied to the GPU test interface?

I think so, but @giacomofiorin may have a different opinion. I didn't see a rationale for that flag changing based on total_force_requested, i.e. the fact that it's true does not indicate that total forces are enabled or requested or even available.

I don't really have an opinion here, and certainly I wouldn't have a strong opinion on total-forces features. As a matter of fact, I even suggested to remove the code path associated with the "same step" feature.
#887 (comment)

src/colvargrid_integrate.h

HanatoK · 2025-12-17T17:06:42Z

src/colvargrid_integrate.h

+  bool weighted = false;
+  bool precompute = true;
+
+  colvar_grid_scalar* computation_grid;


If you want to use shared_ptr instead of a raw pointer, you can inherit this class from std::enable_shared_from_this. Also, if you want to keep the raw pointer, it should be initialized as nullptr.

Thanks, since this is not managing any memory, we'll keep the raw pointer for simplicity but initialize to nullptr.

HanatoK · 2025-12-17T17:12:02Z

src/colvargrid_integrate.cpp


+// Helper function to print vector<int>
+std::string vec_to_string(const std::vector<int> &vec)


This helper function is defined in the global namespace, and only used when debugging. It may cause linking errors if downstream MD engines have a function with the same name, so I think either it should be commented out, or put in the colvarmodule or a separate namespace.

Indeed, this is a leftover from debugging, removing.

HanatoK · 2025-12-17T17:20:28Z

src/colvargrid_integrate.cpp

+         gradients->incr(ix)) {
+      size_t count = gradients->samples->value(ix);
+      if (count > 0) {
+        insert_into_sorted_list<size_t>(sorted_counts, count);


I'm not familiar with the algorithm details, but random insertion in a vector should be quite slow. Why not just push_back and then std::sort?

Agreed, thanks!

HanatoK · 2025-12-17T17:28:15Z

src/colvargrid_integrate.cpp

+            coefficient += regularized_weights[gradients->address(weight_coordinate)];
+          }
+          coefficient *= weight_counts[i];
+          laplacian_coefficients[computation_grid->address(ix) * multiplicity + i] += coefficient;


Is it possible to pre-calculate the computation_grid->address(ix) * multiplicity in the outer loop?

I'm suggesting that Kevin-Lâm tries it, but my recent experience is that current compilers already optimize the hell out of everything, so there might be nothing to gain.

src/colvargrid_integrate.cpp

HanatoK · 2025-12-17T17:36:43Z

src/colvargrid_integrate.cpp

+    std::vector<int> zero_vector(nd, 0);
+    gradients_to_average_relative_positions.push_back(zero_vector);
+  } else {
+    for (int i = 0; i < pow(2, directions_to_average_along.size()); i++) {


Each time when comparing i with the end of loop, it has to recalculate pow, which might be slow. Is it possible to cache the index of the end of loop? Also, you should consider using cvm::integer_power.

HanatoK · 2025-12-17T17:49:24Z

When restarting 000_eulerangles_ext_abf2d_euler_weighted, NAMD crashes. The GDB backtrace:

#0  0x00007ffff763dd3c in __pthread_kill_implementation () from /lib64/libc.so.6
#1  0x00007ffff75e27b6 in raise () from /lib64/libc.so.6
#2  0x00007ffff75c934b in abort () from /lib64/libc.so.6
#3  0x00007ffff7889972 in std::__glibcxx_assert_fail(char const*, int, char const*, char const*) () from /lib64/libstdc++.so.6
#4  0x00000000009b1cd7 in std::vector<double, std::allocator<double> >::operator[] (this=0x1d85b08, __n=0) at /usr/include/c++/15/bits/stl_vector.h:1263
#5  0x00000000013ba889 in colvargrid_integrate::update_weighted_div_local (this=0x1d85770, ix0=std::vector of length 2, capacity 2 = {...}) at colvars/src/colvargrid_integrate.cpp:344
#6  0x00000000013b8029 in colvargrid_integrate::set_weighted_div (this=0x1d85770) at colvars/src/colvargrid_integrate.cpp:151
#7  0x00000000012b8869 in colvargrid_integrate::set_div (this=0x1d85770) at colvars/src/colvargrid_integrate.h:50
#8  0x00000000012c48fb in colvarbias_abf::read_state_data_template_<std::basic_istream<char, std::char_traits<char> > > (this=0x1d5a880, is=...) at colvars/src/colvarbias_abf.cpp:968
#9  0x00000000012b66ab in colvarbias_abf::read_state_data (this=0x1d5a880, is=...) at colvars/src/colvarbias_abf.cpp:1017
#10 0x00000000012a9a2a in colvarbias::read_state_template_<std::basic_istream<char, std::char_traits<char> > > (this=0x1d5a880, is=...) at colvars/src/colvarbias.cpp:641
#11 0x00000000012a43fb in colvarbias::read_state (this=0x1d5a880, is=...) at colvars/src/colvarbias.cpp:665
#12 0x00000000013d2c5e in colvarmodule::read_objects_state (this=0x1b92970, is=...) at colvars/src/colvarmodule.cpp:1811
#13 0x00000000013e7d2f in colvarmodule::read_state_template_<std::basic_istream<char, std::char_traits<char> > > (this=0x1b92970, is=...) at colvars/src/colvarmodule.cpp:1724
#14 0x00000000013d25b9 in colvarmodule::read_state (this=0x1b92970, is=...) at colvars/src/colvarmodule.cpp:1732
#15 0x00000000013d11fe in colvarmodule::setup_input (this=0x1b92970) at colvars/src/colvarmodule.cpp:1562
#16 0x00000000014274e0 in cvscript_cv_load (pobj=0x1b4b140, objc=3, objv=0x7fffffffb9b0) at colvars/src/colvarscript_commands.h:484
#17 0x000000000141c9c1 in colvarscript::run (this=0x1b4b140, objc=3, objv=0x7fffffffb9b0) at colvars/src/colvarscript.cpp:439
#18 0x000000000141e87f in tcl_run_colvarscript_command (my_interp=0x1a75410, objc=3, objv=0x1a79790) at colvars/src/colvarscript.cpp:740
#19 0x00007ffff7de3ab8 in TclNRRunCallbacks () from /lib64/libtcl8.6.so
#20 0x00007ffff7dea234 in ?? () from /lib64/libtcl8.6.so
#21 0x00007ffff7e90587 in Tcl_FSEvalFileEx () from /lib64/libtcl8.6.so
#22 0x00007ffff7e90807 in Tcl_EvalFile () from /lib64/libtcl8.6.so
#23 0x0000000001121e77 in ScriptTcl::load (this=0x1a742b0, scriptFile=0x7fffffffd459 "test.restart.namd") at src/ScriptTcl.C:2423
#24 0x00000000009c463c in after_backend_init (argc=2, argv=0x7fffffffce68) at src/mainfunc.C:181
#25 0x00000000009c3f88 in main (argc=3, argv=0x7fffffffce68) at src/mainfunc.C:52

colvartools/poisson_integrator.cpp

HanatoK · 2025-12-17T19:15:16Z

src/colvargrid_integrate.cpp

+    cvm::real weight = regularized_weights[gradients->address(surrounding_point_coordinates)];
+
+    for (size_t i = 0; i < nd; i++) {
+      div_at_point += pow(-1, surrounding_point_relative_position[i] + 1) *


(-1)^n could be either -1 or 1 depending on whether n is an even number or an odd number, so this can be simply calculated without calling pow.

HanatoK · 2025-12-17T19:50:59Z

src/colvargrid_integrate.cpp

+{
+  const size_t linear_index = computation_grid->address(ix0);
+  cvm::real div_at_point = 0;
+  for (std::vector<int> surrounding_point_relative_position :


It's better to use const std::vector<int>&.

HanatoK · 2025-12-17T19:53:22Z

src/colvargrid_integrate.cpp

+  surrounding_points_relative_positions.clear();
+  size_t n_combinations = pow(2, nd);
+  for (size_t i = 0; i < n_combinations; i++) {
+    surrounding_points_relative_positions.push_back(convert_base_two(i, nd));


I feel that the calls to convert_base_two is unnecessary because an integer has already all its bits itself. convert_base_two simply checks the bits of i and stores them into a vector of nd size. But maybe I am wrong, and I am not sure how to optimize this.

This is not performance-critical, and this form is more legible than a bunch of (n >>i)&1 throughout the code.

in proxy_stubs wrt other proxys

uses CLI11.hpp, now we need to find a common place in the tree to share it with other tools also fixes Doxygen comments are noted by Haochuan

Thanks Haochuan for the feedback.

levo-str · 2026-01-12T14:52:50Z

When restarting 000_eulerangles_ext_abf2d_euler_weighted, NAMD crashes. The GDB backtrace:

#0  0x00007ffff763dd3c in __pthread_kill_implementation () from /lib64/libc.so.6
#1  0x00007ffff75e27b6 in raise () from /lib64/libc.so.6
#2  0x00007ffff75c934b in abort () from /lib64/libc.so.6
#3  0x00007ffff7889972 in std::__glibcxx_assert_fail(char const*, int, char const*, char const*) () from /lib64/libstdc++.so.6
#4  0x00000000009b1cd7 in std::vector<double, std::allocator<double> >::operator[] (this=0x1d85b08, __n=0) at /usr/include/c++/15/bits/stl_vector.h:1263
#5  0x00000000013ba889 in colvargrid_integrate::update_weighted_div_local (this=0x1d85770, ix0=std::vector of length 2, capacity 2 = {...}) at colvars/src/colvargrid_integrate.cpp:344
#6  0x00000000013b8029 in colvargrid_integrate::set_weighted_div (this=0x1d85770) at colvars/src/colvargrid_integrate.cpp:151
#7  0x00000000012b8869 in colvargrid_integrate::set_div (this=0x1d85770) at colvars/src/colvargrid_integrate.h:50
#8  0x00000000012c48fb in colvarbias_abf::read_state_data_template_<std::basic_istream<char, std::char_traits<char> > > (this=0x1d5a880, is=...) at colvars/src/colvarbias_abf.cpp:968
#9  0x00000000012b66ab in colvarbias_abf::read_state_data (this=0x1d5a880, is=...) at colvars/src/colvarbias_abf.cpp:1017
#10 0x00000000012a9a2a in colvarbias::read_state_template_<std::basic_istream<char, std::char_traits<char> > > (this=0x1d5a880, is=...) at colvars/src/colvarbias.cpp:641
#11 0x00000000012a43fb in colvarbias::read_state (this=0x1d5a880, is=...) at colvars/src/colvarbias.cpp:665
#12 0x00000000013d2c5e in colvarmodule::read_objects_state (this=0x1b92970, is=...) at colvars/src/colvarmodule.cpp:1811
#13 0x00000000013e7d2f in colvarmodule::read_state_template_<std::basic_istream<char, std::char_traits<char> > > (this=0x1b92970, is=...) at colvars/src/colvarmodule.cpp:1724
#14 0x00000000013d25b9 in colvarmodule::read_state (this=0x1b92970, is=...) at colvars/src/colvarmodule.cpp:1732
#15 0x00000000013d11fe in colvarmodule::setup_input (this=0x1b92970) at colvars/src/colvarmodule.cpp:1562
#16 0x00000000014274e0 in cvscript_cv_load (pobj=0x1b4b140, objc=3, objv=0x7fffffffb9b0) at colvars/src/colvarscript_commands.h:484
#17 0x000000000141c9c1 in colvarscript::run (this=0x1b4b140, objc=3, objv=0x7fffffffb9b0) at colvars/src/colvarscript.cpp:439
#18 0x000000000141e87f in tcl_run_colvarscript_command (my_interp=0x1a75410, objc=3, objv=0x1a79790) at colvars/src/colvarscript.cpp:740
#19 0x00007ffff7de3ab8 in TclNRRunCallbacks () from /lib64/libtcl8.6.so
#20 0x00007ffff7dea234 in ?? () from /lib64/libtcl8.6.so
#21 0x00007ffff7e90587 in Tcl_FSEvalFileEx () from /lib64/libtcl8.6.so
#22 0x00007ffff7e90807 in Tcl_EvalFile () from /lib64/libtcl8.6.so
#23 0x0000000001121e77 in ScriptTcl::load (this=0x1a742b0, scriptFile=0x7fffffffd459 "test.restart.namd") at src/ScriptTcl.C:2423
#24 0x00000000009c463c in after_backend_init (argc=2, argv=0x7fffffffce68) at src/mainfunc.C:181
#25 0x00000000009c3f88 in main (argc=3, argv=0x7fffffffce68) at src/mainfunc.C:52

Could you tell me exactly how you got this ? Is it running on local ? Because on git all the tests pass.

HanatoK · 2026-01-12T15:09:22Z

When restarting 000_eulerangles_ext_abf2d_euler_weighted, NAMD crashes. The GDB backtrace:

#0  0x00007ffff763dd3c in __pthread_kill_implementation () from /lib64/libc.so.6
#1  0x00007ffff75e27b6 in raise () from /lib64/libc.so.6
#2  0x00007ffff75c934b in abort () from /lib64/libc.so.6
#3  0x00007ffff7889972 in std::__glibcxx_assert_fail(char const*, int, char const*, char const*) () from /lib64/libstdc++.so.6
#4  0x00000000009b1cd7 in std::vector<double, std::allocator<double> >::operator[] (this=0x1d85b08, __n=0) at /usr/include/c++/15/bits/stl_vector.h:1263
#5  0x00000000013ba889 in colvargrid_integrate::update_weighted_div_local (this=0x1d85770, ix0=std::vector of length 2, capacity 2 = {...}) at colvars/src/colvargrid_integrate.cpp:344
#6  0x00000000013b8029 in colvargrid_integrate::set_weighted_div (this=0x1d85770) at colvars/src/colvargrid_integrate.cpp:151
#7  0x00000000012b8869 in colvargrid_integrate::set_div (this=0x1d85770) at colvars/src/colvargrid_integrate.h:50
#8  0x00000000012c48fb in colvarbias_abf::read_state_data_template_<std::basic_istream<char, std::char_traits<char> > > (this=0x1d5a880, is=...) at colvars/src/colvarbias_abf.cpp:968
#9  0x00000000012b66ab in colvarbias_abf::read_state_data (this=0x1d5a880, is=...) at colvars/src/colvarbias_abf.cpp:1017
#10 0x00000000012a9a2a in colvarbias::read_state_template_<std::basic_istream<char, std::char_traits<char> > > (this=0x1d5a880, is=...) at colvars/src/colvarbias.cpp:641
#11 0x00000000012a43fb in colvarbias::read_state (this=0x1d5a880, is=...) at colvars/src/colvarbias.cpp:665
#12 0x00000000013d2c5e in colvarmodule::read_objects_state (this=0x1b92970, is=...) at colvars/src/colvarmodule.cpp:1811
#13 0x00000000013e7d2f in colvarmodule::read_state_template_<std::basic_istream<char, std::char_traits<char> > > (this=0x1b92970, is=...) at colvars/src/colvarmodule.cpp:1724
#14 0x00000000013d25b9 in colvarmodule::read_state (this=0x1b92970, is=...) at colvars/src/colvarmodule.cpp:1732
#15 0x00000000013d11fe in colvarmodule::setup_input (this=0x1b92970) at colvars/src/colvarmodule.cpp:1562
#16 0x00000000014274e0 in cvscript_cv_load (pobj=0x1b4b140, objc=3, objv=0x7fffffffb9b0) at colvars/src/colvarscript_commands.h:484
#17 0x000000000141c9c1 in colvarscript::run (this=0x1b4b140, objc=3, objv=0x7fffffffb9b0) at colvars/src/colvarscript.cpp:439
#18 0x000000000141e87f in tcl_run_colvarscript_command (my_interp=0x1a75410, objc=3, objv=0x1a79790) at colvars/src/colvarscript.cpp:740
#19 0x00007ffff7de3ab8 in TclNRRunCallbacks () from /lib64/libtcl8.6.so
#20 0x00007ffff7dea234 in ?? () from /lib64/libtcl8.6.so
#21 0x00007ffff7e90587 in Tcl_FSEvalFileEx () from /lib64/libtcl8.6.so
#22 0x00007ffff7e90807 in Tcl_EvalFile () from /lib64/libtcl8.6.so
#23 0x0000000001121e77 in ScriptTcl::load (this=0x1a742b0, scriptFile=0x7fffffffd459 "test.restart.namd") at src/ScriptTcl.C:2423
#24 0x00000000009c463c in after_backend_init (argc=2, argv=0x7fffffffce68) at src/mainfunc.C:181
#25 0x00000000009c3f88 in main (argc=3, argv=0x7fffffffce68) at src/mainfunc.C:52

Could you tell me exactly how you got this ? Is it running on local ? Because on git all the tests pass.

Yes, I ran the code locally. The Github CI test should fail on the crash but I don't know why it didn't. As you can see in https://github.com/Colvars/colvars/actions/runs/20366808773/job/58523739156?pr=872#step:15:109, NAMD indeed crashed.

levo-str · 2026-01-12T17:03:37Z

When restarting 000_eulerangles_ext_abf2d_euler_weighted, NAMD crashes. The GDB backtrace:

#0  0x00007ffff763dd3c in __pthread_kill_implementation () from /lib64/libc.so.6
#1  0x00007ffff75e27b6 in raise () from /lib64/libc.so.6
#2  0x00007ffff75c934b in abort () from /lib64/libc.so.6
#3  0x00007ffff7889972 in std::__glibcxx_assert_fail(char const*, int, char const*, char const*) () from /lib64/libstdc++.so.6
#4  0x00000000009b1cd7 in std::vector<double, std::allocator<double> >::operator[] (this=0x1d85b08, __n=0) at /usr/include/c++/15/bits/stl_vector.h:1263
#5  0x00000000013ba889 in colvargrid_integrate::update_weighted_div_local (this=0x1d85770, ix0=std::vector of length 2, capacity 2 = {...}) at colvars/src/colvargrid_integrate.cpp:344
#6  0x00000000013b8029 in colvargrid_integrate::set_weighted_div (this=0x1d85770) at colvars/src/colvargrid_integrate.cpp:151
#7  0x00000000012b8869 in colvargrid_integrate::set_div (this=0x1d85770) at colvars/src/colvargrid_integrate.h:50
#8  0x00000000012c48fb in colvarbias_abf::read_state_data_template_<std::basic_istream<char, std::char_traits<char> > > (this=0x1d5a880, is=...) at colvars/src/colvarbias_abf.cpp:968
#9  0x00000000012b66ab in colvarbias_abf::read_state_data (this=0x1d5a880, is=...) at colvars/src/colvarbias_abf.cpp:1017
#10 0x00000000012a9a2a in colvarbias::read_state_template_<std::basic_istream<char, std::char_traits<char> > > (this=0x1d5a880, is=...) at colvars/src/colvarbias.cpp:641
#11 0x00000000012a43fb in colvarbias::read_state (this=0x1d5a880, is=...) at colvars/src/colvarbias.cpp:665
#12 0x00000000013d2c5e in colvarmodule::read_objects_state (this=0x1b92970, is=...) at colvars/src/colvarmodule.cpp:1811
#13 0x00000000013e7d2f in colvarmodule::read_state_template_<std::basic_istream<char, std::char_traits<char> > > (this=0x1b92970, is=...) at colvars/src/colvarmodule.cpp:1724
#14 0x00000000013d25b9 in colvarmodule::read_state (this=0x1b92970, is=...) at colvars/src/colvarmodule.cpp:1732
#15 0x00000000013d11fe in colvarmodule::setup_input (this=0x1b92970) at colvars/src/colvarmodule.cpp:1562
#16 0x00000000014274e0 in cvscript_cv_load (pobj=0x1b4b140, objc=3, objv=0x7fffffffb9b0) at colvars/src/colvarscript_commands.h:484
#17 0x000000000141c9c1 in colvarscript::run (this=0x1b4b140, objc=3, objv=0x7fffffffb9b0) at colvars/src/colvarscript.cpp:439
#18 0x000000000141e87f in tcl_run_colvarscript_command (my_interp=0x1a75410, objc=3, objv=0x1a79790) at colvars/src/colvarscript.cpp:740
#19 0x00007ffff7de3ab8 in TclNRRunCallbacks () from /lib64/libtcl8.6.so
#20 0x00007ffff7dea234 in ?? () from /lib64/libtcl8.6.so
#21 0x00007ffff7e90587 in Tcl_FSEvalFileEx () from /lib64/libtcl8.6.so
#22 0x00007ffff7e90807 in Tcl_EvalFile () from /lib64/libtcl8.6.so
#23 0x0000000001121e77 in ScriptTcl::load (this=0x1a742b0, scriptFile=0x7fffffffd459 "test.restart.namd") at src/ScriptTcl.C:2423
#24 0x00000000009c463c in after_backend_init (argc=2, argv=0x7fffffffce68) at src/mainfunc.C:181
#25 0x00000000009c3f88 in main (argc=3, argv=0x7fffffffce68) at src/mainfunc.C:52

Could you tell me exactly how you got this ? Is it running on local ? Because on git all the tests pass.

Yes, I ran the code locally. The Github CI test should fail on the crash but I don't know why it didn't. As you can see in https://github.com/Colvars/colvars/actions/runs/20366808773/job/58523739156?pr=872#step:15:109, NAMD indeed crashed.

Ok, thank you ! it should be fixed now. I had already spotted the bug and fixed it but in another branch (that you may review soon too)...

Fix the compilation error of comparing signed and unsigned integers.

levo-str force-pushed the weighted_poisson_merged_ended branch 2 times, most recently from 69c9e20 to 3c67197 Compare October 28, 2025 17:42

jhenin changed the title ~~Weighted poisson integration (for real this time)~~ Weighted poisson integration Nov 14, 2025

jhenin mentioned this pull request Nov 17, 2025

Simplify colvargrid derived classes #870

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levo-str force-pushed the weighted_poisson_merged_ended branch 2 times, most recently from 3c67197 to d63167b Compare November 19, 2025 12:21

levo-str force-pushed the weighted_poisson_merged_ended branch from 8273c3f to 817a80e Compare November 28, 2025 14:50

levo-str force-pushed the weighted_poisson_merged_ended branch 3 times, most recently from 165ec32 to 252a3d0 Compare December 10, 2025 15:05

jhenin marked this pull request as ready for review December 11, 2025 17:00

jhenin requested review from HanatoK and giacomofiorin and removed request for HanatoK and giacomofiorin December 17, 2025 15:21

HanatoK reviewed Dec 17, 2025

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levo-str and others added 21 commits December 19, 2025 11:10

allow sample grid to be added later

fee2e6e

format code

3462212

check if this passes the test

49f9ca3

delete unused import

24f27de

error catching to handle 1D cases

90f85da

fix: more robust colvargrid_gradient constructor

e0c42f2

fix: grid handling in ABF, limit header scope

19108ff

test: fix output for custom grid metadata in ABF

3661e5b

put back integrate weighted argument

eaf2d17

improve test with custom grid of different size to the original one

a12b8fe

update eABF weighted test reference value

06ed7d7

delete solved comments and unused log

40d275c

create ABF with weighted integration NAMD test

137648e

create NAMD test for eABF

1e960a2

update tests

8c4116c

Make total_forces_same_step consistent

a04934f

in proxy_stubs wrt other proxys

Remove redundant gradient tests

588e075

Improve poisson_integrator by adding CLI flags

3eb6da7

uses CLI11.hpp, now we need to find a common place in the tree to share it with other tools also fixes Doxygen comments are noted by Haochuan

Cast integers to cvm::real before division

78656b6

delete useless imports

a8d1cdd

add more details to the documentation

24f4098

levo-str force-pushed the weighted_poisson_merged_ended branch from 7f3e54a to 24f4098 Compare December 19, 2025 10:10

Cleanup after PR review

df27d7e

Thanks Haochuan for the feedback.

levo-str added 3 commits January 12, 2026 17:33

prevent div calculation before preparations

ac4132a

restore use import of sys/stat.h

ac2a7a6

optimize code thanks to HanatoK's recommendations

0eb407d

fix: change the type of nb_averaged_gradients from size_t to int

e743753

Fix the compilation error of comparing signed and unsigned integers.


		// Helper function to print vector<int>
		std::string vec_to_string(const std::vector<int> &vec)

Weighted poisson integration #872

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Weighted poisson integration #872

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jhenin commented Oct 23, 2025 • edited Loading Uh oh! There was an error while loading. Please reload this page.

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HanatoK Dec 17, 2025 • edited Loading Uh oh! There was an error while loading. Please reload this page.

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HanatoK commented Dec 17, 2025

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levo-str commented Jan 12, 2026

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HanatoK commented Jan 12, 2026

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levo-str commented Jan 12, 2026

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jhenin commented Oct 23, 2025 •

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HanatoK Dec 17, 2025 •

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