From 0e9fef01e7c0fb50cf2c3a92dacbcf47e629e378 Mon Sep 17 00:00:00 2001
From: Eddy Barraud <eddy.barraud@outlook.fr>
Date: Thu, 6 Jun 2024 10:32:45 +0200
Subject: [PATCH] class fix and header

---
 lib/gpu/lal_dpd_charged.cpp | 8 ++++----
 lib/gpu/lal_dpd_charged.h   | 2 ++
 2 files changed, 6 insertions(+), 4 deletions(-)

diff --git a/lib/gpu/lal_dpd_charged.cpp b/lib/gpu/lal_dpd_charged.cpp
index f7956ee69b..ea22ab0f36 100644
--- a/lib/gpu/lal_dpd_charged.cpp
+++ b/lib/gpu/lal_dpd_charged.cpp
@@ -47,7 +47,7 @@ int DPDChargedT::init(const int ntypes,
                double **host_cutsq, double **host_a0,
                double **host_gamma, double **host_sigma,
                double **host_cut_dpd, double **host_cut_dpdsq, 
-               double **host_cut_slatersq, **host_scale,
+               double **host_cut_slatersq, double **host_scale,
                double *host_special_lj,
                const bool tstat_only,
                const int nlocal, const int nall,
@@ -164,7 +164,7 @@ void DPDChargedT::clear() {
 
 template <class numtyp, class acctyp>
 double DPDChargedT::host_memory_usage() const {
-  return this->host_memory_usage_atomic()+sizeof(DPD<numtyp,acctyp>);
+  return this->host_memory_usage_atomic()+sizeof(DPDCharged<numtyp,acctyp>);
 }
 
 // ---------------------------------------------------------------------------
@@ -209,7 +209,7 @@ int DPDChargedT::loop(const int eflag, const int vflag) {
                           &vflag, &ainum, &nbor_pitch, &this->atom->v, &cutsq,
                           &this->_dtinvsqrt, &this->_seed, &this->_timestep,
                           &_qqrd2e, &_g_ewald, &_lamda,
-                          &this->_tstat_only, &this->_threads_per_atom,);
+                          &this->_tstat_only, &this->_threads_per_atom);
   } else {
     this->k_pair.set_size(GX,BX);
     this->k_pair.run(&this->atom->x, &this->atom->extra, &coeff, &_lj_types, &sp_lj, &sp_cl, &sp_sqrt,
@@ -219,7 +219,7 @@ int DPDChargedT::loop(const int eflag, const int vflag) {
                      &_qqrd2e, &_g_ewald, &_lamda,
                      &this->_seed, &this->_timestep,
                      &_qqrd2e, &_g_ewald, &_lamda,
-                     &this->_tstat_only, &this->_threads_per_atom,);
+                     &this->_tstat_only, &this->_threads_per_atom);
   }
   this->time_pair.stop();
   return GX;
diff --git a/lib/gpu/lal_dpd_charged.h b/lib/gpu/lal_dpd_charged.h
index 3f2da9f047..38ab93eb3b 100644
--- a/lib/gpu/lal_dpd_charged.h
+++ b/lib/gpu/lal_dpd_charged.h
@@ -59,6 +59,8 @@ class DPDCharged : public BaseDPD<numtyp, acctyp> {
   void update_coeff(int ntypes, double **host_a0, double **host_gamma,
                     double **host_sigma, double **host_cut_dpd );
 
+  void get_extra_data(double *host_q);
+  
   // --------------------------- TYPE DATA --------------------------
 
   /// coeff.x = a0, coeff.y = gamma, coeff.z = sigma, coeff.w = cut_dpd