From f9dfcfb8879db760e92f654d6492346351234907 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Ole=20Sch=C3=BCtt?= Date: Mon, 17 Feb 2025 21:01:55 +0100 Subject: [PATCH] TMC: Fix typo in keyword: GROUP_ANLYSIS_NR -> GROUP_ANALYSIS_NR --- src/tmc/input_cp2k_tmc.F | 4 ++-- src/tmc/tmc_setup.F | 2 +- tests/TMC/regtest_ana_on_the_fly/TMC_ana_G_R.inp | 2 +- .../TMC_ana_create_traj_without_ana.inp | 2 +- tests/TMC/regtest_ana_on_the_fly/TMC_ana_density.inp | 2 +- tests/TMC/regtest_ana_on_the_fly/TMC_ana_deviation.inp | 2 +- tests/TMC/regtest_ana_on_the_fly/TMC_ana_dip_cl.inp | 2 +- tests/TMC/regtest_ana_on_the_fly/TMC_ana_restart.inp | 2 +- .../regtest_ana_on_the_fly/TMC_ana_start_with_exist_traj.inp | 2 +- .../regtest_ana_post_proc/TMC_ana_create_traj_without_ana.inp | 2 +- tests/TMC/regtest_ana_post_proc/TMC_ana_extend_trajectory.inp | 2 +- 11 files changed, 12 insertions(+), 12 deletions(-) diff --git a/src/tmc/input_cp2k_tmc.F b/src/tmc/input_cp2k_tmc.F index 0194cee185..b0e4017f22 100644 --- a/src/tmc/input_cp2k_tmc.F +++ b/src/tmc/input_cp2k_tmc.F @@ -88,9 +88,9 @@ CONTAINS ! size of a group calculating the exact energy CALL keyword_create(keyword, __LOCATION__, & - name="GROUP_ANLYSIS_NR", & + name="GROUP_ANALYSIS_NR", & description="amount of groups (cores) for analysing the configurations", & - usage="GROUP_ANLYSIS_NR {INTEGER}", & + usage="GROUP_ANALYSIS_NR {INTEGER}", & default_i_val=1, lone_keyword_i_val=1) CALL section_add_keyword(section, keyword) CALL keyword_release(keyword) diff --git a/src/tmc/tmc_setup.F b/src/tmc/tmc_setup.F index d9025dc624..490d7b7d53 100644 --- a/src/tmc/tmc_setup.F +++ b/src/tmc/tmc_setup.F @@ -595,7 +595,7 @@ CONTAINS CALL section_vals_val_get(tmc_section, "GROUP_ENERGY_SIZE", i_val=tmc_env%tmc_comp_set%group_ener_size) CALL section_vals_val_get(tmc_section, "GROUP_ENERGY_NR", i_val=tmc_env%tmc_comp_set%group_ener_nr) CALL section_vals_val_get(tmc_section, "GROUP_CC_SIZE", i_val=tmc_env%tmc_comp_set%group_cc_size) - CALL section_vals_val_get(tmc_section, "GROUP_ANLYSIS_NR", i_val=itmp) + CALL section_vals_val_get(tmc_section, "GROUP_ANALYSIS_NR", i_val=itmp) IF (tmc_env%tmc_comp_set%ana_on_the_fly .GT. 0) & tmc_env%tmc_comp_set%ana_on_the_fly = itmp IF (tmc_env%tmc_comp_set%ana_on_the_fly .GT. 1) & diff --git a/tests/TMC/regtest_ana_on_the_fly/TMC_ana_G_R.inp b/tests/TMC/regtest_ana_on_the_fly/TMC_ana_G_R.inp index 2ce6ae8f2d..9fd4395a1d 100644 --- a/tests/TMC/regtest_ana_on_the_fly/TMC_ana_G_R.inp +++ b/tests/TMC/regtest_ana_on_the_fly/TMC_ana_G_R.inp @@ -14,7 +14,7 @@ &TMC ENERGY_FILE_NAME H2O.inp ESIMATE_ACC_PROB .TRUE. - GROUP_ANLYSIS_NR 1 + GROUP_ANALYSIS_NR 1 GROUP_CC_SIZE 0 GROUP_ENERGY_NR 1 GROUP_ENERGY_SIZE 1 diff --git a/tests/TMC/regtest_ana_on_the_fly/TMC_ana_create_traj_without_ana.inp b/tests/TMC/regtest_ana_on_the_fly/TMC_ana_create_traj_without_ana.inp index 76a9bccf53..6583e61ebf 100644 --- a/tests/TMC/regtest_ana_on_the_fly/TMC_ana_create_traj_without_ana.inp +++ b/tests/TMC/regtest_ana_on_the_fly/TMC_ana_create_traj_without_ana.inp @@ -14,7 +14,7 @@ &TMC ENERGY_FILE_NAME H2O.inp ESIMATE_ACC_PROB .TRUE. - GROUP_ANLYSIS_NR 1 + GROUP_ANALYSIS_NR 1 GROUP_CC_SIZE 0 GROUP_ENERGY_NR 1 GROUP_ENERGY_SIZE 1 diff --git a/tests/TMC/regtest_ana_on_the_fly/TMC_ana_density.inp b/tests/TMC/regtest_ana_on_the_fly/TMC_ana_density.inp index afa332c239..e09d1ee367 100644 --- a/tests/TMC/regtest_ana_on_the_fly/TMC_ana_density.inp +++ b/tests/TMC/regtest_ana_on_the_fly/TMC_ana_density.inp @@ -13,7 +13,7 @@ &TMC ENERGY_FILE_NAME H2O.inp ESIMATE_ACC_PROB .TRUE. - GROUP_ANLYSIS_NR 1 + GROUP_ANALYSIS_NR 1 GROUP_CC_SIZE 0 GROUP_ENERGY_NR 1 GROUP_ENERGY_SIZE 1 diff --git a/tests/TMC/regtest_ana_on_the_fly/TMC_ana_deviation.inp b/tests/TMC/regtest_ana_on_the_fly/TMC_ana_deviation.inp index da15c0168b..89e5bab791 100644 --- a/tests/TMC/regtest_ana_on_the_fly/TMC_ana_deviation.inp +++ b/tests/TMC/regtest_ana_on_the_fly/TMC_ana_deviation.inp @@ -13,7 +13,7 @@ &TMC ENERGY_FILE_NAME H2O.inp ESIMATE_ACC_PROB .TRUE. - GROUP_ANLYSIS_NR 1 + GROUP_ANALYSIS_NR 1 GROUP_CC_SIZE 0 GROUP_ENERGY_NR 1 GROUP_ENERGY_SIZE 1 diff --git a/tests/TMC/regtest_ana_on_the_fly/TMC_ana_dip_cl.inp b/tests/TMC/regtest_ana_on_the_fly/TMC_ana_dip_cl.inp index 4ba1d0a563..93d8bbca1c 100644 --- a/tests/TMC/regtest_ana_on_the_fly/TMC_ana_dip_cl.inp +++ b/tests/TMC/regtest_ana_on_the_fly/TMC_ana_dip_cl.inp @@ -13,7 +13,7 @@ &TMC ENERGY_FILE_NAME H2O.inp ESIMATE_ACC_PROB .TRUE. - GROUP_ANLYSIS_NR 1 + GROUP_ANALYSIS_NR 1 GROUP_CC_SIZE 0 GROUP_ENERGY_NR 1 GROUP_ENERGY_SIZE 1 diff --git a/tests/TMC/regtest_ana_on_the_fly/TMC_ana_restart.inp b/tests/TMC/regtest_ana_on_the_fly/TMC_ana_restart.inp index b5fa15d519..c166710e8d 100644 --- a/tests/TMC/regtest_ana_on_the_fly/TMC_ana_restart.inp +++ b/tests/TMC/regtest_ana_on_the_fly/TMC_ana_restart.inp @@ -15,7 +15,7 @@ &TMC ENERGY_FILE_NAME H2O.inp ESIMATE_ACC_PROB .TRUE. - GROUP_ANLYSIS_NR 1 + GROUP_ANALYSIS_NR 1 GROUP_CC_SIZE 0 GROUP_ENERGY_NR 1 GROUP_ENERGY_SIZE 1 diff --git a/tests/TMC/regtest_ana_on_the_fly/TMC_ana_start_with_exist_traj.inp b/tests/TMC/regtest_ana_on_the_fly/TMC_ana_start_with_exist_traj.inp index 1dc4531ddf..86adea66d7 100644 --- a/tests/TMC/regtest_ana_on_the_fly/TMC_ana_start_with_exist_traj.inp +++ b/tests/TMC/regtest_ana_on_the_fly/TMC_ana_start_with_exist_traj.inp @@ -15,7 +15,7 @@ &TMC ENERGY_FILE_NAME H2O.inp ESIMATE_ACC_PROB .TRUE. - GROUP_ANLYSIS_NR 1 + GROUP_ANALYSIS_NR 1 GROUP_CC_SIZE 0 GROUP_ENERGY_NR 1 GROUP_ENERGY_SIZE 1 diff --git a/tests/TMC/regtest_ana_post_proc/TMC_ana_create_traj_without_ana.inp b/tests/TMC/regtest_ana_post_proc/TMC_ana_create_traj_without_ana.inp index a9234fbe2d..bcf9c23a75 100644 --- a/tests/TMC/regtest_ana_post_proc/TMC_ana_create_traj_without_ana.inp +++ b/tests/TMC/regtest_ana_post_proc/TMC_ana_create_traj_without_ana.inp @@ -14,7 +14,7 @@ &TMC ENERGY_FILE_NAME H2O.inp ESIMATE_ACC_PROB .TRUE. - GROUP_ANLYSIS_NR 1 + GROUP_ANALYSIS_NR 1 GROUP_CC_SIZE 0 GROUP_ENERGY_NR 1 GROUP_ENERGY_SIZE 1 diff --git a/tests/TMC/regtest_ana_post_proc/TMC_ana_extend_trajectory.inp b/tests/TMC/regtest_ana_post_proc/TMC_ana_extend_trajectory.inp index e852799163..e82c946587 100644 --- a/tests/TMC/regtest_ana_post_proc/TMC_ana_extend_trajectory.inp +++ b/tests/TMC/regtest_ana_post_proc/TMC_ana_extend_trajectory.inp @@ -14,7 +14,7 @@ &TMC ENERGY_FILE_NAME H2O.inp ESIMATE_ACC_PROB .TRUE. - GROUP_ANLYSIS_NR 1 + GROUP_ANALYSIS_NR 1 GROUP_CC_SIZE 0 GROUP_ENERGY_NR 1 GROUP_ENERGY_SIZE 1