Added flag that forces PLUMED to not use chains when calculating deri…

…vatives
plumed · Jul 4, 2024 · 2982b55 · 2982b55
1 parent 639e810
commit 2982b55
Show file tree

Hide file tree

Showing 7 changed files with 2,100 additions and 0 deletions.
diff --git a/regtest/adjmat/rt-basic-matrix4/Makefile b/regtest/adjmat/rt-basic-matrix4/Makefile
@@ -0,0 +1 @@
+include ../../scripts/test.make
diff --git a/regtest/adjmat/rt-basic-matrix4/config b/regtest/adjmat/rt-basic-matrix4/config
@@ -0,0 +1,12 @@
+type=driver
+plumed_modules=adjmat
+# this is to test a different name
+arg="--plumed plumed.dat --ixyz gas-one.xyz --dump-forces forces --dump-forces-fmt=%8.4f" # --debug-forces forces.num"
+
+function plumed_regtest_before() {
+   export PLUMED_FORBID_CHAINS=yes
+} 
+
+function plumed_regtest_after() {
+   export PLUMED_FORBID_CHAINS=no
+}
diff --git a/regtest/adjmat/rt-basic-matrix4/fcolvar.reference b/regtest/adjmat/rt-basic-matrix4/fcolvar.reference
@@ -0,0 +1,3 @@
+#! FIELDS time mts
+ 0.000000 20.46772
+ 1.000000 20.46772