HELIUM: Restore old init to conserve Ceperly regtests

cp2k · Sep 12, 2019 · 37f251d · 37f251d
1 parent 3ffad99
commit 37f251d
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Showing 2 changed files with 3 additions and 4 deletions.
diff --git a/src/motion/helium_methods.F b/src/motion/helium_methods.F
@@ -1175,7 +1175,9 @@ SUBROUTINE helium_coord_init(helium_env, initkT, solute_radius)
                   iter = iter+1
                   invalidpos = .FALSE.
                   ! if sampling fails to often, reduce he he criterion
-                  minHeHedsttmp = 0.90_dp**(iter/100)*minHeHedst
+                  !CS TODO:
+                  !minHeHedsttmp = 0.90_dp**(iter/100)*minHeHedst
+                  minHeHedsttmp = 0.90_dp**MIN(0, iter-2)*minHeHedst
                   DO ic = 1, 3
                      r1 = next_random_number(helium_env(k)%helium%rng_stream_uniform)
                      r1 = 2.0_dp*r1-1.0_dp

diff --git a/src/motion/helium_types.F b/src/motion/helium_types.F
@@ -173,9 +173,6 @@ MODULE helium_types
       ! helium variables
       !
       REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: pos !< position of the helium atoms DIM(3,atoms,beads)
-#ifdef __FU_DEBUGWORM
-      REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: TMPpos !< position of the helium atoms DIM(3,atoms,beads)
-#endif
       REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: work !< same dimensions as pos
       !
       INTEGER, DIMENSION(:), POINTER :: permutation !< current permutation state DIM(atoms)