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Revert commit 14dfd3876a which walked-back

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the NULL->nullptr changes for lib/awpmd.

Then, hand-applied a minor cleanup to comments, ala Axel's changes to the
rest of the codebase.
This commit is contained in:
Anne Gunn
2020-09-14 10:12:48 -06:00
parent 430d151660
commit 6315b277c8
8 changed files with 56 additions and 56 deletions
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4
lib/awpmd/systems/interact/TCP/wpmd_split.cpp
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@ -312,7 +312,7 @@ void AWPMD_split::clear_forces(int flag,Vector_3P fi, Vector_3P fe_x,
void AWPMD_split::get_el_forces(int flag, Vector_3P fe_x,
Vector_3P fe_p, double *fe_w, double *fe_pw, Vector_2P fe_c){
if(flag&0x4) //need to replace the forces
clear_forces(0x4,NULL,fe_x,fe_p,fe_w,fe_pw,fe_c);
clear_forces(0x4,nullptr,fe_x,fe_p,fe_w,fe_pw,fe_c);
// recalculating derivatives
if(flag&(0x8|0x4)){ //electron forces needed
@ -622,7 +622,7 @@ void AWPMD_split::y_deriv(cdouble v,int s,int c2, int c1){
/// 0x4 -- calculate electronic forces \n
/// 0x8 -- add electronic forces to the existing arrays \n
/// 0x10 -- calculate internal electronic derivatives only: \n
/// will not update electronic force arrays, which may be NULL, \n
/// will not update electronic force arrays, which may be null pointers, \n
/// the forces may be obtained then using \ref get_el_forces() for all WPs \n
/// or separately for each WP using \ref get_wp_force()
/// if PBCs are used the coords must be within a range [0, cell)