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Richard Berger
2020-03-23 09:42:46 -04:00
parent b533fdb31b
commit 6e1f18961c
3 changed files with 6 additions and 6 deletions
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4
src/KSPACE/msm.cpp
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@ -2920,7 +2920,7 @@ void MSM::compute_phis_and_dphis(const double &dx, const double &dy,
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
compute phi using interpolating polynomial compute phi using interpolating polynomial
see Eq 7 from Parallel Computing 35 (2009) 164<EFBFBD>177 see Eq 7 from Parallel Computing 35 (2009) 164-177
and Hardy's thesis and Hardy's thesis
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
@ -2999,7 +2999,7 @@ inline double MSM::compute_phi(const double &xi)
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
compute the derivative of phi compute the derivative of phi
phi is an interpolating polynomial phi is an interpolating polynomial
see Eq 7 from Parallel Computing 35 (2009) 164<EFBFBD>177 see Eq 7 from Parallel Computing 35 (2009) 164-177
and Hardy's thesis and Hardy's thesis
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */

2
src/USER-INTEL/pair_tersoff_intel.cpp
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@ -12,7 +12,7 @@
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
Contributing author: Markus H<EFBFBD>hnerbach (RWTH) Contributing author: Markus Höhnerbach (RWTH)
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
#include <cmath> #include <cmath>

6
src/USER-SMTBQ/pair_smtbq.cpp
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@ -13,7 +13,7 @@
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
The SMTBQ code has been developed with the financial support of CNRS and The SMTBQ code has been developed with the financial support of CNRS and
of the Regional Council of Burgundy (Convention n<EFBFBD> 2010-9201AAO037S03129) of the Regional Council of Burgundy (Convention n¡ 2010-9201AAO037S03129)
Copyright (2015) Copyright (2015)
Universite de Bourgogne : Nicolas SALLES, Olivier POLITANO Universite de Bourgogne : Nicolas SALLES, Olivier POLITANO
@ -943,7 +943,7 @@ void PairSMTBQ::compute(int eflag, int vflag)
3 -> Short int. Ox-Ox 3 -> Short int. Ox-Ox
4 -> Short int. SMTB (repulsion) 4 -> Short int. SMTB (repulsion)
5 -> Covalent energy SMTB 5 -> Covalent energy SMTB
6 -> Somme des Q(i)<EFBFBD> 6 -> Somme des Q(i)²
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
/* -------------- N-body forces Calcul --------------- */ /* -------------- N-body forces Calcul --------------- */
@ -3022,7 +3022,7 @@ void PairSMTBQ::groupQEqAllParallel_QEq()
ngp = igp = 0; nelt[ngp] = 0; ngp = igp = 0; nelt[ngp] = 0;
// On prend un oxyg<EFBFBD>ne // On prend un oxygène
// printf ("[me %d] On prend un oxygene\n",me); // printf ("[me %d] On prend un oxygene\n",me);
for (ii = 0; ii < inum; ii++) { for (ii = 0; ii < inum; ii++) {