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Merge branch 'master' into pygromacs
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
tables.c
diff --git
a/src/gromacs/mdlib/tables.c
b/src/gromacs/mdlib/tables.c
index a6f3b202258c34933727e335b9a0528af29a2e12..c883d4afabfceb5154892a069d2254b6d584d640 100644
(file)
--- a/
src/gromacs/mdlib/tables.c
+++ b/
src/gromacs/mdlib/tables.c
@@
-944,11
+944,11
@@
static void fill_table(t_tabledata *td, int tp, const t_forcerec *fr,
break;
case etabEwald:
case etabEwaldSwitch:
break;
case etabEwald:
case etabEwaldSwitch:
- V
tab
= gmx_erfc(ewc*rc)/rc;
+ V
cut
= gmx_erfc(ewc*rc)/rc;
break;
case etabEwaldUser:
/* Only calculate minus the reciprocal space contribution */
break;
case etabEwaldUser:
/* Only calculate minus the reciprocal space contribution */
- V
tab
= -gmx_erf(ewc*rc)/rc;
+ V
cut
= -gmx_erf(ewc*rc)/rc;
break;
case etabRF:
case etabRF_ZERO:
break;
case etabRF:
case etabRF_ZERO: