Add parameters for GFN1(Si)-xTB (#550)

grimme-lab · Dec 17, 2021 · ffb8cf1 · ffb8cf1
1 parent 546be4a
commit ffb8cf1
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diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -162,6 +162,7 @@ install(
   FILES
   "${PROJECT_SOURCE_DIR}/param_gfn0-xtb.txt"
   "${PROJECT_SOURCE_DIR}/param_gfn1-xtb.txt"
+  "${PROJECT_SOURCE_DIR}/param_gfn1-si-xtb.txt"
   "${PROJECT_SOURCE_DIR}/param_gfn2-xtb.txt"
   "${PROJECT_SOURCE_DIR}/param_ipea-xtb.txt"
   "${PROJECT_SOURCE_DIR}/.param_gfnff.xtb"

diff --git a/meson.build b/meson.build
@@ -172,6 +172,7 @@ xtb_parameter_files = [
   'param_gfn0-xtb.txt',
   'param_gfn2-xtb.txt',
   'param_gfn1-xtb.txt',
+  'param_gfn1-si-xtb.txt',
   'param_ipea-xtb.txt',
   '.param_gfnff.xtb',
 ]