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added a FF name SPICA to tools/kate/lammps.xml and tools/moltemplate/README.txt

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This commit is contained in:
yskmiyazaki
2022-07-08 18:23:10 +09:00
parent 07633622e6
commit b5e70ebc81
2 changed files with 8 additions and 1 deletions
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7
tools/kate/lammps.xml
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@ -394,6 +394,8 @@
<item>edip</item> <item>edip</item>
<item>eff/cut</item> <item>eff/cut</item>
<item>gauss/cut</item> <item>gauss/cut</item>
<item>lj/spica</item>
<item>lj/spica/coul/long</item>
<item>lj/sdk</item> <item>lj/sdk</item>
<item>lj/sdk/coul/long</item> <item>lj/sdk/coul/long</item>
<item>lj/sf</item> <item>lj/sf</item>
@ -517,6 +519,10 @@
<item>lj/gromacs/coul/gromacs/omp</item> <item>lj/gromacs/coul/gromacs/omp</item>
<item>lj/gromacs/cuda</item> <item>lj/gromacs/cuda</item>
<item>lj/gromacs/omp</item> <item>lj/gromacs/omp</item>
<item>lj/spica/gpu</item>
<item>lj/spica/omp</item>
<item>lj/spica/coul/long/gpu</item>
<item>lj/spica/coul/long/omp</item>
<item>lj/sdk/gpu</item> <item>lj/sdk/gpu</item>
<item>lj/sdk/omp</item> <item>lj/sdk/omp</item>
<item>lj/sdk/coul/long/gpu</item> <item>lj/sdk/coul/long/gpu</item>
@ -596,6 +602,7 @@
<item>table</item> <item>table</item>
</list> </list>
<list name="kw_optional_as_potentials"> <list name="kw_optional_as_potentials">
<item>spica</item>
<item>sdk</item> <item>sdk</item>
<item>cosine/shift</item> <item>cosine/shift</item>
<item>cosine/shift/exp</item> <item>cosine/shift/exp</item>

2
tools/moltemplate/README.txt
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@ -9,7 +9,7 @@ cross-platform, text-based molecule and topology builder for LAMMPS.
Moltemplate was originally conceived for building custom coarse-grained Moltemplate was originally conceived for building custom coarse-grained
molecular models, but it has since been generalized for all-atom simulations molecular models, but it has since been generalized for all-atom simulations
as well. It currently supports the OPLS, COMPASS, AMBER(GAFF,GAFF2), as well. It currently supports the OPLS, COMPASS, AMBER(GAFF,GAFF2),
MARTINI, SDK, LOPLS(2015), and TraPPE(1998) force fields, and includes MARTINI, SPICA(SDK), LOPLS(2015), and TraPPE(1998) force fields, and includes
(New force fields and examples are added continually through user (New force fields and examples are added continually through user
contributions). contributions).