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more GPU package cleanup from Trung

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This commit is contained in:
Axel Kohlmeyer
2024-01-17 16:12:36 -05:00
parent 6e2df52c8f
commit 9c4597b5e9
4 changed files with 8 additions and 8 deletions
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2
lib/gpu/lal_base_sph.h
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@ -15,7 +15,7 @@
***************************************************************************/ ***************************************************************************/
#ifndef LAL_BASE_SPH_H #ifndef LAL_BASE_SPH_H
#define LAL_BASE_DPD_H #define LAL_BASE_SPH_H
#include "lal_device.h" #include "lal_device.h"
#include "lal_balance.h" #include "lal_balance.h"

4
lib/gpu/lal_coul_slater_long.h
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@ -13,8 +13,8 @@
email : ndactrung@gmail.com email : ndactrung@gmail.com
***************************************************************************/ ***************************************************************************/
#ifndef LAL_Coul_Slater_Long_H #ifndef LAL_COUL_SLATER_LONG_H
#define LAL_Coul_Slater_Long_H #define LAL_COUL_SLATER_LONG_H
#include "lal_base_charge.h" #include "lal_base_charge.h"

6
lib/gpu/lal_eam.cpp
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@ -303,7 +303,7 @@ double EAMT::host_memory_usage() const {
} }
// --------------------------------------------------------------------------- // ---------------------------------------------------------------------------
// Copy nbor list from host if necessary and then compute atom energies/forces // Copy nbor list from host if necessary and then compute per-atom fp
// --------------------------------------------------------------------------- // ---------------------------------------------------------------------------
template <class numtyp, class acctyp> template <class numtyp, class acctyp>
void EAMT::compute(const int f_ago, const int inum_full, const int nlocal, void EAMT::compute(const int f_ago, const int inum_full, const int nlocal,
@ -379,7 +379,7 @@ void EAMT::compute(const int f_ago, const int inum_full, const int nlocal,
} }
// --------------------------------------------------------------------------- // ---------------------------------------------------------------------------
// Reneighbor on GPU and then compute per-atom densities // Reneighbor on GPU and then compute per-atom fp
// --------------------------------------------------------------------------- // ---------------------------------------------------------------------------
template <class numtyp, class acctyp> template <class numtyp, class acctyp>
int** EAMT::compute(const int ago, const int inum_full, const int nall, int** EAMT::compute(const int ago, const int inum_full, const int nall,
@ -461,7 +461,7 @@ int** EAMT::compute(const int ago, const int inum_full, const int nall,
} }
// --------------------------------------------------------------------------- // ---------------------------------------------------------------------------
// Copy nbor list from host if necessary and then calculate forces, virials,.. // Update per-atom fp, and then calculate forces, virials,..
// --------------------------------------------------------------------------- // ---------------------------------------------------------------------------
template <class numtyp, class acctyp> template <class numtyp, class acctyp>
void EAMT::compute2(int *ilist, const bool eflag, const bool vflag, void EAMT::compute2(int *ilist, const bool eflag, const bool vflag,

4
lib/gpu/lal_sph_heatconduction.h
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@ -13,8 +13,8 @@
email : ndactrung@gmail.com email : ndactrung@gmail.com
***************************************************************************/ ***************************************************************************/
#ifndef LAL_SPH_LJ_H #ifndef LAL_SPH_HEATCONDUCTION_H
#define LAL_SPH_LJ_H #define LAL_SPH_HEATCONDUCTION_H
#include "lal_base_sph.h" #include "lal_base_sph.h"