Commit 3d50cb48 authored by Olaf Lenz's avatar Olaf Lenz

Merge remote-tracking branch 'trichter/3.1' into 3.1

parents df80c456 93c294fc
......@@ -28,6 +28,7 @@
int tclprint_to_result_ljIA(Tcl_Interp *interp, int i, int j);
/// parser for the forcecap
int tclcommand_inter_parse_ljforcecap(Tcl_Interp * interp, int argc, char ** argv);
int tclcommand_inter_parse_lj(Tcl_Interp * interp,
......
......@@ -89,7 +89,6 @@ int tclprint_to_result_ljangleIA(Tcl_Interp *interp, int i, int j)
for each of the interactions.
*/
/// parser for the forcecap
int tclcommand_inter_parse_ljangleforcecap(Tcl_Interp * interp, int argc, char ** argv)
{
char buffer[TCL_DOUBLE_SPACE];
......
......@@ -32,7 +32,6 @@ int tclprint_to_result_ljangleIA(Tcl_Interp *interp, int i, int j);
for each of the interactions.
*/
/// parser for the forcecap
int tclcommand_inter_parse_ljangleforcecap(Tcl_Interp * interp, int argc, char ** argv);
......
......@@ -45,15 +45,15 @@ int tclcommand_inter_coulomb_parse_p3m_opt_params(Tcl_Interp * interp, int argc,
distributed particles in a cubic box.
For the real space error the estimate of Kolafa/Perram is used.
Parameter range if not given explicit values: For \ref p3m_struct::r_cut_iL
Parameter range if not given explicit values: For \ref p3m_parameter_struct::r_cut_iL
the function uses the values (\ref min_local_box_l -\ref #skin) /
(n * \ref box_l), n being an integer (this implies the assumption that \ref
p3m_struct::r_cut_iL is the largest cutoff in the system!). For \ref
p3m_struct::mesh the function uses the two values which matches best the
p3m_parameter_struct::r_cut_iL is the largest cutoff in the system!). For \ref p3m_parameter_struct::mesh
the function uses the two values which matches best the
equation: number of mesh point = number of charged particles. For
\ref p3m_struct::cao the function considers all possible values.
\ref p3m_parameter_struct::cao the function considers all possible values.
For each setting \ref p3m_struct::alpha_L is calculated assuming that the
For each setting \ref p3m_parameter_struct::alpha_L is calculated assuming that the
error contributions of real and reciprocal space should be equal.
After checking if the total error fulfils the accuracy goal the
......
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