Differences

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--- parameters [2019/01/27 10:19] – daniel
+++ parameters [2019/08/11 12:11] (current) – daniel
@@ Line 122: / Line 122: @@
 |<100% 33% 33% 33%>|
-^ **imdpotsteps** | integer | 1000 |
+^ **imdpotsteps** | integer | 500 |
-| number of points in each function in imd and lammps potential files, see [[IMD]] / [[output:lammps]] |||
+| number of sampling points in each function in imd potential files, see [[IMD]] |||
 |<100% 33% 33% 33%>|
@@ Line 132: / Line 132: @@
 ^ **extend** | float | 2.0 |
 | how many steps should the imd potentials be extrapolated, see [[IMD]] |||
+|<100% 33% 33% 33%>|
+^ **lammpspotsteps** | integer | 500 |
+| number of sampling points in each funcation in LAMMPS potential files, see [[output:lammps|LAMMPS]] |||
 ====  parameter for option coulomb  ====
@@ Line 149: / Line 154: @@
 | mixing parameter for dipole convergence during iteration. |||
+====  parameters for OpenKIM potentials  ====
+The options for OpenKIM potentials are described in more detail on the [[models:openkim|OpenKIM]] page.
+|<100% 33% 33% 33%>|
+^ **kim_model_name** | string | (none) |
+| KIM model indentifier |||
+|<100% 33% 33% 33%>|
+^ **kim_model_params** | string | (none) |
+| Special parameter option, see [[models:openkim|OpenKIM]] page for details |||
+|<100% 33% 33% 33%>|
+^ **kim_model_output_directory** | string | (none) |
+| Output directory for the optimized KIM model |||
+|<100% 33% 33% 33%>|
+^ **kim_model_output_name** | string | (none) |
+| Name for the optimized KIM model |||