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andthumandthum
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Merge pull request #137 from andthum/ref/analysis/lintf2-ether/slab-z
Refactor Scripts That Analyze a Slab in xy Plane
2 parents c0d0830 + 9bdc202 commit 745a861

25 files changed

+171
-46
lines changed

‎analysis/lintf2_ether/gmx/.rdf_slab-z_Li-com.sh‎

Lines changed: 6 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -120,14 +120,19 @@ gzip --best --verbose "${settings}_${system}_cn${analysis}_${zmin}-${zmax}nm.xvg
120120
# Cleanup #
121121
########################################################################
122122

123+
echo -e "\n"
124+
mv -v \
125+
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
126+
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out"
127+
123128
save_dir="${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}"
124129
if [[ ! -d ${save_dir} ]]; then
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echo -e "\n"
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mkdir -v "${save_dir}" || exit
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mv -v \
128133
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm.xvg.gz" \
129134
"${settings}_${system}_cn${analysis}_${zmin}-${zmax}nm.xvg.gz" \
130-
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
135+
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out" \
131136
"${save_dir}"
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bash "${bash_dir}/cleanup_analysis.sh" \
133138
"${system}" \

‎analysis/lintf2_ether/gmx/.rdf_slab-z_NTf2-com.sh‎

Lines changed: 6 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -119,14 +119,19 @@ gzip --best --verbose "${settings}_${system}_cn${analysis}_${zmin}-${zmax}nm.xvg
119119
# Cleanup #
120120
########################################################################
121121

122+
echo -e "\n"
123+
mv -v \
124+
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
125+
"${settings}_${system}_${analysis}}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out"
126+
122127
save_dir="${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}"
123128
if [[ ! -d ${save_dir} ]]; then
124129
echo -e "\n"
125130
mkdir -v "${save_dir}" || exit
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mv -v \
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"${settings}_${system}_${analysis}_${zmin}-${zmax}nm.xvg.gz" \
128133
"${settings}_${system}_cn${analysis}_${zmin}-${zmax}nm.xvg.gz" \
129-
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
134+
"${settings}_${system}_${analysis}}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out" \
130135
"${save_dir}"
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bash "${bash_dir}/cleanup_analysis.sh" \
132137
"${system}" \

‎analysis/lintf2_ether/gmx/.rdf_slab-z_ether-com.sh‎

Lines changed: 6 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -116,14 +116,19 @@ gzip --best --verbose "${settings}_${system}_cn${analysis}_${zmin}-${zmax}nm.xvg
116116
# Cleanup #
117117
########################################################################
118118

119+
echo -e "\n"
120+
mv -v \
121+
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
122+
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out"
123+
119124
save_dir="${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}"
120125
if [[ ! -d ${save_dir} ]]; then
121126
echo -e "\n"
122127
mkdir -v "${save_dir}" || exit
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mv -v \
124129
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm.xvg.gz" \
125130
"${settings}_${system}_cn${analysis}_${zmin}-${zmax}nm.xvg.gz" \
126-
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
131+
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out" \
127132
"${save_dir}"
128133
bash "${bash_dir}/cleanup_analysis.sh" \
129134
"${system}" \

‎analysis/lintf2_ether/gmx/densmap-z_Li.sh‎

Lines changed: 6 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -102,13 +102,18 @@ gzip --best --verbose "${settings}_${system}_${analysis}_${zmin}-${zmax}nm.dat"
102102
# Cleanup #
103103
########################################################################
104104

105+
echo -e "\n"
106+
mv -v \
107+
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
108+
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out"
109+
105110
save_dir="${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}"
106111
if [[ ! -d ${save_dir} ]]; then
107112
echo -e "\n"
108113
mkdir -v "${save_dir}" || exit
109114
mv -v \
110115
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm.dat.gz" \
111-
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
116+
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out" \
112117
"${save_dir}"
113118
bash "${bash_dir}/cleanup_analysis.sh" \
114119
"${system}" \

‎analysis/lintf2_ether/gmx/densmap-z_NBT.sh‎

Lines changed: 6 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -108,13 +108,18 @@ gzip --best --verbose "${settings}_${system}_${analysis}_${zmin}-${zmax}nm.dat"
108108
# Cleanup #
109109
########################################################################
110110

111+
echo -e "\n"
112+
mv -v \
113+
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
114+
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out"
115+
111116
save_dir="${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}"
112117
if [[ ! -d ${save_dir} ]]; then
113118
echo -e "\n"
114119
mkdir -v "${save_dir}" || exit
115120
mv -v \
116121
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm.dat.gz" \
117-
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
122+
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out" \
118123
"${save_dir}"
119124
bash "${bash_dir}/cleanup_analysis.sh" \
120125
"${system}" \

‎analysis/lintf2_ether/gmx/densmap-z_OBT.sh‎

Lines changed: 6 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -108,13 +108,18 @@ gzip --best --verbose "${settings}_${system}_${analysis}_${zmin}-${zmax}nm.dat"
108108
# Cleanup #
109109
########################################################################
110110

111+
echo -e "\n"
112+
mv -v \
113+
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
114+
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out"
115+
111116
save_dir="${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}"
112117
if [[ ! -d ${save_dir} ]]; then
113118
echo -e "\n"
114119
mkdir -v "${save_dir}" || exit
115120
mv -v \
116121
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm.dat.gz" \
117-
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
122+
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out" \
118123
"${save_dir}"
119124
bash "${bash_dir}/cleanup_analysis.sh" \
120125
"${system}" \

‎analysis/lintf2_ether/gmx/densmap-z_OE.sh‎

Lines changed: 6 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -108,13 +108,18 @@ gzip --best --verbose "${settings}_${system}_${analysis}_${zmin}-${zmax}nm.dat"
108108
# Cleanup #
109109
########################################################################
110110

111+
echo -e "\n"
112+
mv -v \
113+
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
114+
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out"
115+
111116
save_dir="${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}"
112117
if [[ ! -d ${save_dir} ]]; then
113118
echo -e "\n"
114119
mkdir -v "${save_dir}" || exit
115120
mv -v \
116121
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm.dat.gz" \
117-
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
122+
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out" \
118123
"${save_dir}"
119124
bash "${bash_dir}/cleanup_analysis.sh" \
120125
"${system}" \

‎analysis/lintf2_ether/gmx/densmap-z_gra.sh‎

Lines changed: 6 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -109,13 +109,18 @@ gzip --best --verbose "${settings}_${system}_${analysis}_${zmin}-${zmax}nm.dat"
109109
# Cleanup #
110110
########################################################################
111111

112+
echo -e "\n"
113+
mv -v \
114+
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
115+
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out"
116+
112117
save_dir="${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}"
113118
if [[ ! -d ${save_dir} ]]; then
114119
echo -e "\n"
115120
mkdir -v "${save_dir}" || exit
116121
mv -v \
117122
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm.dat.gz" \
118-
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
123+
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out" \
119124
"${save_dir}"
120125
bash "${bash_dir}/cleanup_analysis.sh" \
121126
"${system}" \

‎analysis/lintf2_ether/gmx/rdf_slab-z_Li.sh‎

Lines changed: 6 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -105,14 +105,19 @@ gzip --best --verbose "${settings}_${system}_cn${analysis}_${zmin}-${zmax}nm.xvg
105105
# Cleanup #
106106
########################################################################
107107

108+
echo -e "\n"
109+
mv -v \
110+
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
111+
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out"
112+
108113
save_dir="${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}"
109114
if [[ ! -d ${save_dir} ]]; then
110115
echo -e "\n"
111116
mkdir -v "${save_dir}" || exit
112117
mv -v \
113118
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm.xvg.gz" \
114119
"${settings}_${system}_cn${analysis}_${zmin}-${zmax}nm.xvg.gz" \
115-
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
120+
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out" \
116121
"${save_dir}"
117122
bash "${bash_dir}/cleanup_analysis.sh" \
118123
"${system}" \

‎analysis/lintf2_ether/gmx/rdf_slab-z_NBT.sh‎

Lines changed: 6 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -103,14 +103,19 @@ gzip --best --verbose "${settings}_${system}_cn${analysis}_${zmin}-${zmax}nm.xvg
103103
# Cleanup #
104104
########################################################################
105105

106+
echo -e "\n"
107+
mv -v \
108+
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
109+
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out"
110+
106111
save_dir="${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}"
107112
if [[ ! -d ${save_dir} ]]; then
108113
echo -e "\n"
109114
mkdir -v "${save_dir}" || exit
110115
mv -v \
111116
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm.xvg.gz" \
112117
"${settings}_${system}_cn${analysis}_${zmin}-${zmax}nm.xvg.gz" \
113-
"${settings}_${system}_${analysis}_slurm-${SLURM_JOB_ID}.out" \
118+
"${settings}_${system}_${analysis}_${zmin}-${zmax}nm_slurm-${SLURM_JOB_ID}.out" \
114119
"${save_dir}"
115120
bash "${bash_dir}/cleanup_analysis.sh" \
116121
"${system}" \

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