Merge pull request #3343 from yskmiyazaki/style-sdk-update

Change package name CG-SDK to CG-SPICA and add a function type LJ12-5 to the package

examples/PACKAGES/cgspica/README

@@ -1,7 +1,8 @@
-LAMMPS CG-SDK example problems
+LAMMPS CG-SPICA example problems
 
-Each of these sub-directories contains a sample problem for the SDK
-coarse grained MD potentials that you can run with LAMMPS.
+Each of these sub-directories contains a sample problem for 
+the SPICA (formerly called SDK) coarse grained MD potentials 
+that you can run with LAMMPS.
 
 These are the two sample systems
 
@@ -9,11 +10,11 @@ peg-verlet:	coarse grained PEG surfactant/water mixture lamella
 		verlet version
 		this example uses the plain LJ term only, no charges.
 		two variants are provided regular harmonic angles and
-		the SDK variant that includes 1-3 LJ repulsion.
+		the SPICA variant that includes 1-3 LJ repulsion.
 
 sds-monolayer:  coarse grained SDS surfactant monolayers at water/vapor
 		interface.
-		this example uses the SDK LJ term with coulomb and shows
+		this example uses the SPICA LJ term with coulomb and shows
 		how to use the combined coulomb style vs. hybrid/overlay
 		with possible optimizations due to the small number of
 		charged particles in this system

examples/PACKAGES/cgspica/peg-verlet/in.pegc12e8

@@ -9,7 +9,7 @@ atom_style	angle
 processors * * 1
 
 # read topology and force field
-pair_style	lj/sdk 15.0
+pair_style	lj/sdk 15.0 # compatible with "lj/spica"
 bond_style	harmonic
 angle_style	harmonic
 special_bonds	lj/coul 0.0 0.0 1.0

examples/PACKAGES/cgspica/peg-verlet/in.pegc12e8-angle

@@ -9,9 +9,9 @@ atom_style	angle
 processors * * 1
 
 # read topology and force field
-pair_style	lj/sdk 15.0
+pair_style	lj/sdk 15.0 # compatible with "lj/spica"
 bond_style	harmonic
-angle_style	sdk
+angle_style	sdk # compatible with "spica"
 special_bonds	lj/coul 0.0 0.0 1.0
 
 read_data	data.pegc12e8.gz

examples/PACKAGES/cgspica/sds-monolayer/in.sds-hybrid

@@ -5,9 +5,9 @@ dimension       3
 atom_style      full
 processors  * * 1
 
-pair_style hybrid/overlay  lj/sdk 15.0  coul/long 26.5
+pair_style hybrid/overlay  lj/sdk 15.0  coul/long 26.5 # "lj/sdk" is compatible with "lj/spica"
 bond_style      harmonic
-angle_style     sdk
+angle_style     sdk # compatible with "spica"
 special_bonds   lj/coul 0.0 0.0 1.0
 
 read_data       data.sds.gz

examples/PACKAGES/cgspica/sds-monolayer/in.sds-regular

@@ -5,9 +5,9 @@ dimension       3
 atom_style      full
 processors  * * 1
 
-pair_style lj/sdk/coul/long 15.0
+pair_style lj/sdk/coul/long 15.0 # compatible with "lj/spica/coul/long"
 bond_style      harmonic
-angle_style     sdk
+angle_style     sdk # compatible with "spica"
 special_bonds   lj/coul 0.0 0.0 1.0
 
 read_data       data.sds.gz