The Steinhardt parameter can now run on the GPU (plumed#1301)

Author: Iximiel

new-manual/gpu.md

@@ -58,3 +58,19 @@ It is also possible to pass some extra options by exporting or specifying the th
 - matrixtools
    - [MATRIX_PRODUCT](MATRIX_PRODUCT.md)
    - [MATRIX_VECTOR_PRODUCT](MATRIX_VECTOR_PRODUCT.md)
+- symfunc
+   - [Q1](Q1.md)
+   - [Q3](Q3.md)
+   - [Q4](Q4.md)
+   - [Q6](Q6.md)
+   - [LOCAL_AVERAGE](LOCAL_AVERAGE.md)
+   - [FCCUBIC](FCCUBIC.md)
+   - [TETRAHEDRAL](TETRAHEDRAL.md)
+   - [SIMPLECUBIC](SIMPLECUBIC.md)
+   - [COORDINATION_SHELL_FUNCTION](COORDINATION_SHELL_FUNCTION.md)
+   - [COORDINATION_SHELL_AVERAGE](COORDINATION_SHELL_AVERAGE.md)
+   - [LOCAL_Q1](LOCAL_qQ1.md)
+   - [LOCAL_Q3](LOCAL_qQ3.md)
+   - [LOCAL_Q4](LOCAL_qQ4.md)
+   - [LOCAL_Q6](LOCAL_qQ6.md)
+   

regtest/targetGPU/rt-symfunc-averaged-q6-spAspB/Makefile

@@ -0,0 +1 @@
+include ../../scripts/test.make

regtest/targetGPU/rt-symfunc-averaged-q6-spAspB/colvar_aq6.reference

@@ -0,0 +1,2 @@
+#! FIELDS time aq6_mean q6_mean res.bias res.force2
+ 0.000000 0.446223 0.479323 3.066685 122.667398

regtest/targetGPU/rt-symfunc-averaged-q6-spAspB/config

@@ -0,0 +1,4 @@
+type=driver
+plumed_modules=symfunc
+# this is to test a different name
+arg="--plumed plumed.dat --ixyz traj_md-10.xyz --length-units A --dump-forces forces --dump-forces-fmt=%8.4f"