diff --git a/tests/FARMING/regtest-1/farming-1.inp b/tests/FARMING/regtest-1/farming-1.inp index 270f55f99a..b4fc935ffb 100644 --- a/tests/FARMING/regtest-1/farming-1.inp +++ b/tests/FARMING/regtest-1/farming-1.inp @@ -1,3 +1,15 @@ +#CPQA INCLUDE dir-1/water.inp +#CPQA INCLUDE dir-2/water.inp +#CPQA INCLUDE dir-3/water.inp +#CPQA INCLUDE dir-4/water.inp +#CPQA INCLUDE dir-5/water.inp +#CPQA INCLUDE dir-6/water.inp +#CPQA INCLUDE dir-7/water.inp +#CPQA INCLUDE dir-8/water.inp +#CPQA INCLUDE dir-9/water.inp +#CPQA INCLUDE ../water_1.pdb +#CPQA INCLUDE ../water.pot + &GLOBAL PROGRAM FARMING RUN_TYPE NONE diff --git a/tests/FARMING/regtest-1/farming-2.inp b/tests/FARMING/regtest-1/farming-2.inp index b8b6c5d556..e4901e011f 100644 --- a/tests/FARMING/regtest-1/farming-2.inp +++ b/tests/FARMING/regtest-1/farming-2.inp @@ -1,3 +1,14 @@ +#CPQA INCLUDE dir-1/water.inp +#CPQA INCLUDE dir-2/water.inp +#CPQA INCLUDE dir-3/water.inp +#CPQA INCLUDE dir-4/water.inp +#CPQA INCLUDE dir-5/water.inp +#CPQA INCLUDE dir-6/water.inp +#CPQA INCLUDE dir-7/water.inp +#CPQA INCLUDE dir-8/water.inp +#CPQA INCLUDE dir-9/water.inp +#CPQA INCLUDE ../water_1.pdb +#CPQA INCLUDE ../water.pot &GLOBAL PROGRAM FARMING RUN_TYPE NONE diff --git a/tests/FARMING/regtest-1/farming-3.inp b/tests/FARMING/regtest-1/farming-3.inp index b601d0cf54..bc2fa4f338 100644 --- a/tests/FARMING/regtest-1/farming-3.inp +++ b/tests/FARMING/regtest-1/farming-3.inp @@ -1,3 +1,14 @@ +#CPQA INCLUDE dir-1/water.inp +#CPQA INCLUDE dir-2/water.inp +#CPQA INCLUDE dir-3/water.inp +#CPQA INCLUDE dir-4/water.inp +#CPQA INCLUDE dir-5/water.inp +#CPQA INCLUDE dir-6/water.inp +#CPQA INCLUDE dir-7/water.inp +#CPQA INCLUDE dir-8/water.inp +#CPQA INCLUDE dir-9/water.inp +#CPQA INCLUDE ../water_1.pdb +#CPQA INCLUDE ../water.pot &GLOBAL PROGRAM FARMING RUN_TYPE NONE diff --git a/tests/FARMING/regtest-1/farming-4.inp b/tests/FARMING/regtest-1/farming-4.inp index 97933f173a..7734be1253 100644 --- a/tests/FARMING/regtest-1/farming-4.inp +++ b/tests/FARMING/regtest-1/farming-4.inp @@ -1,3 +1,14 @@ +#CPQA INCLUDE dir-1/water.inp +#CPQA INCLUDE dir-2/water.inp +#CPQA INCLUDE dir-3/water.inp +#CPQA INCLUDE dir-4/water.inp +#CPQA INCLUDE dir-5/water.inp +#CPQA INCLUDE dir-6/water.inp +#CPQA INCLUDE dir-7/water.inp +#CPQA INCLUDE dir-8/water.inp +#CPQA INCLUDE dir-9/water.inp +#CPQA INCLUDE ../water_1.pdb +#CPQA INCLUDE ../water.pot &GLOBAL PROGRAM FARMING RUN_TYPE NONE diff --git a/tests/FARMING/regtest-1/farming-5.inp b/tests/FARMING/regtest-1/farming-5.inp index 0767af3f38..348332eae1 100644 --- a/tests/FARMING/regtest-1/farming-5.inp +++ b/tests/FARMING/regtest-1/farming-5.inp @@ -1,3 +1,14 @@ +#CPQA INCLUDE dir-1/water.inp +#CPQA INCLUDE dir-2/water.inp +#CPQA INCLUDE dir-3/water.inp +#CPQA INCLUDE dir-4/water.inp +#CPQA INCLUDE dir-5/water.inp +#CPQA INCLUDE dir-6/water.inp +#CPQA INCLUDE dir-7/water.inp +#CPQA INCLUDE dir-8/water.inp +#CPQA INCLUDE dir-9/water.inp +#CPQA INCLUDE ../water_1.pdb +#CPQA INCLUDE ../water.pot &GLOBAL PROGRAM FARMING RUN_TYPE NONE diff --git a/tests/FARMING/regtest-1/farming-6.inp b/tests/FARMING/regtest-1/farming-6.inp index deb7c159e9..c9840f5c7b 100644 --- a/tests/FARMING/regtest-1/farming-6.inp +++ b/tests/FARMING/regtest-1/farming-6.inp @@ -1,4 +1,15 @@ #CPQA DEPENDS farming-5.inp +#CPQA INCLUDE dir-1/water.inp +#CPQA INCLUDE dir-2/water.inp +#CPQA INCLUDE dir-3/water.inp +#CPQA INCLUDE dir-4/water.inp +#CPQA INCLUDE dir-5/water.inp +#CPQA INCLUDE dir-6/water.inp +#CPQA INCLUDE dir-7/water.inp +#CPQA INCLUDE dir-8/water.inp +#CPQA INCLUDE dir-9/water.inp +#CPQA INCLUDE ../water_1.pdb +#CPQA INCLUDE ../water.pot &GLOBAL PROGRAM FARMING diff --git a/tests/FARMING/regtest-1/farming-7.inp b/tests/FARMING/regtest-1/farming-7.inp index 0e7f648b04..87acaf44fe 100644 --- a/tests/FARMING/regtest-1/farming-7.inp +++ b/tests/FARMING/regtest-1/farming-7.inp @@ -1,3 +1,14 @@ +#CPQA INCLUDE dir-1/water.inp +#CPQA INCLUDE dir-2/water.inp +#CPQA INCLUDE dir-3/water.inp +#CPQA INCLUDE dir-4/water.inp +#CPQA INCLUDE dir-5/water.inp +#CPQA INCLUDE dir-6/water.inp +#CPQA INCLUDE dir-7/water.inp +#CPQA INCLUDE dir-8/water.inp +#CPQA INCLUDE dir-9/water.inp +#CPQA INCLUDE ../water_1.pdb +#CPQA INCLUDE ../water.pot &GLOBAL PROGRAM FARMING RUN_TYPE NONE diff --git a/tests/FARMING/regtest-1/farming-8.inp b/tests/FARMING/regtest-1/farming-8.inp index 8984c31898..075122bdab 100644 --- a/tests/FARMING/regtest-1/farming-8.inp +++ b/tests/FARMING/regtest-1/farming-8.inp @@ -1,3 +1,14 @@ +#CPQA INCLUDE dir-1/water.inp +#CPQA INCLUDE dir-2/water.inp +#CPQA INCLUDE dir-3/water.inp +#CPQA INCLUDE dir-4/water.inp +#CPQA INCLUDE dir-5/water.inp +#CPQA INCLUDE dir-6/water.inp +#CPQA INCLUDE dir-7/water.inp +#CPQA INCLUDE dir-8/water.inp +#CPQA INCLUDE dir-9/water.inp +#CPQA INCLUDE ../water_1.pdb +#CPQA INCLUDE ../water.pot &GLOBAL PROGRAM FARMING RUN_TYPE NONE diff --git a/tests/FARMING/regtest-1/farming-9.inp b/tests/FARMING/regtest-1/farming-9.inp index 03490f4b3d..4b1392f7a0 100644 --- a/tests/FARMING/regtest-1/farming-9.inp +++ b/tests/FARMING/regtest-1/farming-9.inp @@ -1,3 +1,5 @@ +#CPQA INCLUDE dir-1/water.inp +#CPQA INCLUDE dir-2/water.inp &GLOBAL PROGRAM FARMING RUN_TYPE NONE diff --git a/tests/MC/regtest/GEMC_NVT_box1.inp b/tests/MC/regtest/GEMC_NVT_box1.inp index bcac75fbfd..2e8c1dac7c 100644 --- a/tests/MC/regtest/GEMC_NVT_box1.inp +++ b/tests/MC/regtest/GEMC_NVT_box1.inp @@ -1,4 +1,9 @@ -#CPQA DEPENDS GEMC_NpT_box1.inp +#CPQA INCLUDE GEMC_NVT_box2.inp +#CPQA INCLUDE bias_template.inp +#CPQA DEPENDS GEMC_NpT_box1.inp +# this dependency rule is fake: the reason is that MC is the only module as of Today that writes +# hard-coded output files, which are then read in the subsequent steps. Once modernized, these +# dependencies for CPQA can be deleted. &FORCE_EVAL METHOD FIST diff --git a/tests/MC/regtest/GEMC_NpT_box1.inp b/tests/MC/regtest/GEMC_NpT_box1.inp index 73141e7ffe..2b2222a4b3 100644 --- a/tests/MC/regtest/GEMC_NpT_box1.inp +++ b/tests/MC/regtest/GEMC_NpT_box1.inp @@ -1,4 +1,9 @@ +#CPQA INCLUDE GEMC_NpT_box2.inp +#CPQA INCLUDE bias_template.inp #CPQA DEPENDS MC_QS.inp +# this dependency rule is fake: the reason is that MC is the only module as of Today that writes +# hard-coded output files, which are then read in the subsequent steps. Once modernized, these +# dependencies for CPQA can be deleted. &FORCE_EVAL METHOD FIST diff --git a/tests/MC/regtest/GEMC_swap_box1.inp b/tests/MC/regtest/GEMC_swap_box1.inp index 82ac721a2e..fb213d46cc 100644 --- a/tests/MC/regtest/GEMC_swap_box1.inp +++ b/tests/MC/regtest/GEMC_swap_box1.inp @@ -1,4 +1,9 @@ -#CPQA DEPENDS GEMC_NVT_box1.inp +#CPQA INCLUDE GEMC_NVT_box2.inp +#CPQA INCLUDE bias_template.inp +#CPQA DEPENDS GEMC_NVT_box1.inp +# this dependency rule is fake: the reason is that MC is the only module as of Today that writes +# hard-coded output files, which are then read in the subsequent steps. Once modernized, these +# dependencies for CPQA can be deleted. &FORCE_EVAL METHOD FIST diff --git a/tests/MC/regtest/canonical.inp b/tests/MC/regtest/canonical.inp index a1026ed31e..1f3a2213c2 100644 --- a/tests/MC/regtest/canonical.inp +++ b/tests/MC/regtest/canonical.inp @@ -1,4 +1,8 @@ -#CPQA GEMC_swap_box1.inp +#CPQA INCLUDE MC_Fist_box2.inp +#CPQA DEPENDS GEMC_swap_box1.inp +# this dependency rule is fake: the reason is that MC is the only module as of Today that writes +# hard-coded output files, which are then read in the subsequent steps. Once modernized, these +# dependencies for CPQA can be deleted. &FORCE_EVAL METHOD FIST diff --git a/tests/MC/regtest/canonical_bias.inp b/tests/MC/regtest/canonical_bias.inp index b4305712b1..7745b9232f 100644 --- a/tests/MC/regtest/canonical_bias.inp +++ b/tests/MC/regtest/canonical_bias.inp @@ -1,4 +1,9 @@ -#CPQA DEPENDS canonical.inp +#CPQA INCLUDE MC_Fist_box2.inp +#CPQA INCLUDE bias_template.inp +#CPQA DEPENDS canonical.inp +# this dependency rule is fake: the reason is that MC is the only module as of Today that writes +# hard-coded output files, which are then read in the subsequent steps. Once modernized, these +# dependencies for CPQA can be deleted. &FORCE_EVAL METHOD FIST diff --git a/tests/MC/regtest/virial.inp b/tests/MC/regtest/virial.inp index 47a7f1a5a8..f2b1328758 100644 --- a/tests/MC/regtest/virial.inp +++ b/tests/MC/regtest/virial.inp @@ -1,4 +1,8 @@ -#CPQA DEPENDS canonical_bias.inp +#CPQA INCLUDE MC_Fist_box2.inp +#CPQA DEPENDS canonical_bias.inp +# this dependency rule is fake: the reason is that MC is the only module as of Today that writes +# hard-coded output files, which are then read in the subsequent steps. Once modernized, these +# dependencies for CPQA can be deleted. &FORCE_EVAL METHOD FIST