Merge branch release-2018

[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / nb_kernel_avx_256_double / make_nb_kernel_avx_256_double.py

diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/make_nb_kernel_avx_256_double.py b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/make_nb_kernel_avx_256_double.py
index d413f37a963e6c481f7e07971e7708eada5d5723..0da02c54da60ab9ef7daccaa79074683bc64234a 100755 (executable)
--- a/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/make_nb_kernel_avx_256_double.py
+++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/make_nb_kernel_avx_256_double.py
@@ -105,7 +105,6 @@ ElectrostaticsList = {
     'None'                    : [],
     'Coulomb'                 : ['rinv','rinvsq'],
     'ReactionField'           : ['rinv','rinvsq'],
-    'GeneralizedBorn'         : ['rinv','r'],
     'CubicSplineTable'        : ['rinv','r','table'],
     'Ewald'                   : ['rinv','rinvsq','r'],
 }
@@ -190,7 +189,6 @@ Abbreviation = {
     'Coulomb'                 : 'Coul',
     'Ewald'                   : 'Ew',
     'ReactionField'           : 'RF',
-    'GeneralizedBorn'         : 'GB',
     'CubicSplineTable'        : 'CSTab',
     'LennardJones'            : 'LJ',
     'Buckingham'              : 'Bham',
@@ -269,7 +267,7 @@ def KeepKernel(KernelElec,KernelElecMod,KernelVdw,KernelVdwMod,KernelGeom,Kernel
         return 0
 
     # No need for LJ-only water optimization, or water optimization with implicit solvent.
-    if('Water' in KernelGeom[0] and (KernelElec=='None' or 'GeneralizedBorn' in KernelElec)):
+    if('Water' in KernelGeom[0] and KernelElec=='None'):
         return 0
 
     # Non-matching table settings are pointless