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TMC: Fix typo in keyword: GROUP_ANLYSIS_NR -> GROUP_ANALYSIS_NR

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Ole Schütt 2025-02-17 21:01:55 +01:00 • committed by Ole Schütt
parent 067dabf1ef
commit f9dfcfb887
11 changed files with 12 additions and 12 deletions
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4
src/tmc/input_cp2k_tmc.F
View file

@ -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)

2
src/tmc/tmc_setup.F
View file

@ -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) &

2
tests/TMC/regtest_ana_on_the_fly/TMC_ana_G_R.inp
View file

@ -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

2
tests/TMC/regtest_ana_on_the_fly/TMC_ana_create_traj_without_ana.inp
View file

@ -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

2
tests/TMC/regtest_ana_on_the_fly/TMC_ana_density.inp
View file

@ -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

2
tests/TMC/regtest_ana_on_the_fly/TMC_ana_deviation.inp
View file

@ -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

2
tests/TMC/regtest_ana_on_the_fly/TMC_ana_dip_cl.inp
View file

@ -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

2
tests/TMC/regtest_ana_on_the_fly/TMC_ana_restart.inp
View file

@ -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

2
tests/TMC/regtest_ana_on_the_fly/TMC_ana_start_with_exist_traj.inp
View file

@ -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

2
tests/TMC/regtest_ana_post_proc/TMC_ana_create_traj_without_ana.inp
View file

@ -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

2
tests/TMC/regtest_ana_post_proc/TMC_ana_extend_trajectory.inp
View file

@ -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